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

78
Patents

133.01974 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.02702 130.9
[M+Na]+ 156.00896 141.1
[M-H]- 132.01246 131.3
[M+NH4]+ 151.05356 150.6
[M+K]+ 171.98290 139.7
[M+H-H2O]+ 116.01700 120.7
[M+HCOO]- 178.01794 144.2
[M+CH3COO]- 192.03359 179.3
[M+Na-2H]- 153.99441 134.2
[M]+ 133.01919 126.7
[M]- 133.02029 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