4-甲氨基吡啶(3731-53-1)质谱(MS)
InChI:InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
InChIKey: TXQWFIVRZNOPCK-UHFFFAOYSA-N
Smiles:C1=NC=CC(CN)=C1
-
Mass
MS-NW-1083
4-(aminomethyl)pyridine
C6H8N2 (Mass of molecular ion: 108)
Source Temperature: 250 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 1.7
26.0 1.9
27.0 3.2
28.0 11.5
29.0 3.2
30.0 46.0
37.0 1.1
38.0 2.0
39.0 5.7
40.0 1.3
41.0 1.3
49.0 1.0
50.0 6.0
51.0 11.3
52.0 11.7
53.0 7.4
54.0 2.8
63.0 2.3
64.0 1.9
65.0 3.6
78.0 4.7
79.0 27.1
80.0 100.0
81.0 6.1
92.0 1.9
105.0 1.4
107.0 21.7
108.0 12.2
109.0 1.1
90 MHz in CDCl3
parameter in DMSO-d6
-
1H NMR |
89.56 MHz |
C6 H8 N2
|
0.04 ml : 0.5 ml CDCl3
|
4-(aminomethyl)pyridine
|
|
Assign. Shift(ppm)
A 8.538
B 7.252
C 3.898
D 1.52
|
Hz ppm Int.
767.81 8.574 461
766.25 8.556 278
763.38 8.524 290
761.81 8.507 509
653.13 7.293 256
652.38 7.285 445
651.63 7.276 333
650.75 7.267 266
650.00 7.258 148
648.75 7.244 150
647.94 7.235 251
647.13 7.226 321
646.38 7.218 411
645.63 7.209 215
349.06 3.898 1000
345.88 3.862 41
140.19 1.566 35
136.50 1.525 713
-
1H NMR |
300 MHz |
C6 H8 N2
|
30 % in DMSO
|
4-(aminomethyl)pyridine
|
|
Parameter ppm Hz
D(A) 8.60
D(B) 7.41
D(C) 3.83
J(A,A') 0.4
J(A,B) 5.2
J(A,B') 1.0
J(A,C) 0.0
J(A',B) 1.0
J(A',B') 5.2
J(A',C) 0.0
J(B,B') 1.6
J(B,C) 0.7
J(B',C) 0.7
D(D) 2.39
BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
66, 159 (1962)
|
Hz ppm Int.
2583.15 8.610 324
2581.53 8.605 198
2578.59 8.595 196
2576.97 8.590 339
2226.09 7.420 243
2219.97 7.400 233
1149.08 3.830 672
717.01 2.390 1000