CID 2773320

4-sulfamoylbutanoic acid

Structural Information

Molecular Formula
C4H9NO4S
SMILES
C(CC(=O)O)CS(=O)(=O)N
InChI
InChI=1S/C4H9NO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7)(H2,5,8,9)
InChIKey
OMPGKWICGUBROA-UHFFFAOYSA-N
Compound name
4-sulfamoylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

619
Patents

167.02522 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03250 131.4
[M+Na]+ 190.01444 138.5
[M-H]- 166.01794 130.1
[M+NH4]+ 185.05904 150.8
[M+K]+ 205.98838 136.9
[M+H-H2O]+ 150.02248 126.6
[M+HCOO]- 212.02342 148.0
[M+CH3COO]- 226.03907 173.2
[M+Na-2H]- 187.99989 134.4
[M]+ 167.02467 132.6
[M]- 167.02577 132.6
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