Aminomethanesulfonic acid(13881-91-9) MS
Product NameAminomethanesulfonic acid
CAS13881-91-9
Molecular FormulaCH5NO3S
Molecular Weight111.12
InChIInChI=1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)
InChIKey OBESRABRARNZJB-UHFFFAOYSA-N
SmilesC(N)S(O)(=O)=O
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MassMS-NW-4999 aminomethanesulfonic acid CH5NO3S (Mass of molecular ion: 111)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 2.2 16.0 13.7 17.0 20.3 18.0 52.1 28.0 4.6 29.0 1.7 32.0 4.6 41.0 1.2 42.0 5.3 43.0 3.2 44.0 1.1 48.0 42.7 50.0 2.1 64.0 100.0 66.0 5.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C H5 N O3 S saturated in DMSO-d6 aminomethanesulfonic acid 
Assign. Shift(ppm)
A 8.28 B 3.546
Hz ppm Int.3307.25 8.276 192 1417.11 3.546 1000
KBr disc
nujol mull
