CID 11434976

But-3-ene-1-sulfonamide

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C=CCCS(=O)(=O)N
InChI
InChI=1S/C4H9NO2S/c1-2-3-4-8(5,6)7/h2H,1,3-4H2,(H2,5,6,7)
InChIKey
GZZNAQVOJRWEMH-UHFFFAOYSA-N
Compound name
but-3-ene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
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 124.8
[M+Na]+ 158.02462 133.1
[M-H]- 134.02812 125.1
[M+NH4]+ 153.06922 146.6
[M+K]+ 173.99856 131.0
[M+H-H2O]+ 118.03266 120.3
[M+HCOO]- 180.03360 143.5
[M+CH3COO]- 194.04925 170.6
[M+Na-2H]- 156.01007 129.1
[M]+ 135.03485 125.7
[M]- 135.03595 125.7
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