CID 53403807

2-methylprop-1-ene-1-sulfonamide

Structural Information

Molecular Formula
C4H9NO2S
SMILES
CC(=CS(=O)(=O)N)C
InChI
InChI=1S/C4H9NO2S/c1-4(2)3-8(5,6)7/h3H,1-2H3,(H2,5,6,7)
InChIKey
MEPMHODCRIIQKR-UHFFFAOYSA-N
Compound name
2-methylprop-1-ene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

135.0354 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 125.1
[M+Na]+ 158.02462 133.1
[M-H]- 134.02812 125.5
[M+NH4]+ 153.06922 146.8
[M+K]+ 173.99856 131.6
[M+H-H2O]+ 118.03266 120.7
[M+HCOO]- 180.03360 142.7
[M+CH3COO]- 194.04925 170.8
[M+Na-2H]- 156.01007 128.2
[M]+ 135.03485 125.3
[M]- 135.03595 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe