CID 21436386

4-hydroxybutane-1-sulfonamide

Structural Information

Molecular Formula
C4H11NO3S
SMILES
C(CCS(=O)(=O)N)CO
InChI
InChI=1S/C4H11NO3S/c5-9(7,8)4-2-1-3-6/h6H,1-4H2,(H2,5,7,8)
InChIKey
UAPRFDOPWAVCRL-UHFFFAOYSA-N
Compound name
4-hydroxybutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

153.04596 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.05324 129.5
[M+Na]+ 176.03518 136.8
[M-H]- 152.03868 128.1
[M+NH4]+ 171.07978 149.7
[M+K]+ 192.00912 134.8
[M+H-H2O]+ 136.04322 124.8
[M+HCOO]- 198.04416 146.7
[M+CH3COO]- 212.05981 171.1
[M+Na-2H]- 174.02063 133.4
[M]+ 153.04541 130.5
[M]- 153.04651 130.5
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