1,1,1-Tris(hydroxymethyl)ethane(77-85-0) MS
Product Name1,1,1-Tris(hydroxymethyl)ethane
CAS77-85-0
Molecular FormulaC5H12O3
Molecular Weight120.15
InChIInChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
InChIKey QXJQHYBHAIHNGG-UHFFFAOYSA-N
SmilesC(O)C(CO)(C)CO
-
MassMS-NW-1452 2-hydroxymethyl-2-methyl-1,3-propanediol C5H12O3 (Mass of molecular ion: 120)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.9 17.0 1.0 18.0 4.6 19.0 8.9 26.0 1.4 27.0 18.6 28.0 4.1 29.0 16.2 30.0 2.2 31.0 47.2 32.0 1.1 38.0 1.0 39.0 19.0 40.0 2.9 41.0 65.0 42.0 7.7 43.0 36.2 44.0 5.6 45.0 5.4 47.0 3.8 53.0 3.8 54.0 8.9 55.0 7.0 56.0 15.2 57.0 100.0 58.0 5.4 59.0 12.3 69.0 8.5 70.0 2.8 71.0 21.4 72.0 92.4 73.0 5.6 83.0 1.9 84.0 3.0 89.0 1.1
in D2O
KBr disc
nujol mull
