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

101
Patents

135.0354 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 124.4
[M+Na]+ 158.024618 132.7
[M-H]- 134.028124 125.3
[M+NH4]+ 153.069223 146.4
[M+K]+ 173.998558 131.0
[M+H-H2O]+ 118.032660 119.9
[M+HCOO]- 180.033601 143.7
[M+CH3COO]- 194.049251 171.3
[M+Na-2H]- 156.010066 129.8
[M]+ 135.03485142 126.4
[M]- 135.03594858 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