3-(1-Pyridinio)-1-propanesulfonate(15471-17-7) MS
Product Name3-(1-Pyridinio)-1-propanesulfonate
CAS15471-17-7
Molecular FormulaC8H11NO3S
Molecular Weight201.24
InChIInChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey REEBJQTUIJTGAL-UHFFFAOYSA-N
SmilesC1C=CC=C[N+]=1CCCS([O-])(=O)=O
-
MassMS-IW-0179 3-(1-pyridinio)propanesulfonate C8H11NO3S (Mass of molecular ion: 201)
Source Temperature: 220 °C Sample Temperature: 260 °C Direct, 75 eV
17.0 1.5 18.0 8.1 26.0 8.5 27.0 8.1 28.0 76.2 29.0 17.0 30.0 17.2 31.0 1.1 37.0 1.5 38.0 2.9 38.5 1.0 39.0 11.8 40.0 1.9 41.0 11.3 42.0 4.0 43.0 1.0 48.0 2.6 49.0 2.2 50.0 13.0 51.0 23.0 52.0 69.2 53.0 7.2 55.0 1.9 57.0 18.1 58.0 25.3 59.0 1.0 64.0 2.3 65.0 3.5 66.0 1.3 75.0 1.3 76.0 1.1 78.0 10.1 79.0 100.0 80.0 6.9 121.0 1.2 122.0 2.7 123.0 1.0
KBr disc
nujol mull
