CID 4675024

N-allylmethanesulfonamide

Structural Information

Molecular Formula
C4H9NO2S
SMILES
CS(=O)(=O)NCC=C
InChI
InChI=1S/C4H9NO2S/c1-3-4-5-8(2,6)7/h3,5H,1,4H2,2H3
InChIKey
TYVZEADQWCCODY-UHFFFAOYSA-N
Compound name
N-prop-2-enylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

135.0354 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 124.4
[M+Na]+ 158.02462 132.7
[M-H]- 134.02812 125.3
[M+NH4]+ 153.06922 146.4
[M+K]+ 173.99856 131.0
[M+H-H2O]+ 118.03266 119.9
[M+HCOO]- 180.03360 143.7
[M+CH3COO]- 194.04925 171.3
[M+Na-2H]- 156.01007 129.8
[M]+ 135.03485 126.4
[M]- 135.03595 126.4
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