CID 57025874

But-3-yne-1-sulfonamide

Structural Information

Molecular Formula
C4H7NO2S
SMILES
C#CCCS(=O)(=O)N
InChI
InChI=1S/C4H7NO2S/c1-2-3-4-8(5,6)7/h1H,3-4H2,(H2,5,6,7)
InChIKey
LOWUPGMIWCDQKL-UHFFFAOYSA-N
Compound name
but-3-yne-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

133.01974 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.027016 130.9
[M+Na]+ 156.008958 141.1
[M-H]- 132.012464 131.3
[M+NH4]+ 151.053563 150.6
[M+K]+ 171.982898 139.7
[M+H-H2O]+ 116.017000 120.7
[M+HCOO]- 178.017941 144.2
[M+CH3COO]- 192.033591 179.3
[M+Na-2H]- 153.994406 134.2
[M]+ 133.01919142 126.7
[M]- 133.02028858 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe