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

68
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 123.3
[M+Na]+ 156.00896 131.9
[M+NH4]+ 151.05356 127.1
[M+K]+ 171.98290 123.8
[M-H]- 132.01246 114.4
[M+Na-2H]- 153.99441 123.6
[M]+ 133.01919 121.3
[M]- 133.02029 121.3
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