CID 21718767

15441-10-8

Structural Information

Molecular Formula
C3H7NO4S
SMILES
C(CS(=O)(=O)N)C(=O)O
InChI
InChI=1S/C3H7NO4S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H,5,6)(H2,4,7,8)
InChIKey
GORVWJURYPIBBC-UHFFFAOYSA-N
Compound name
3-sulfamoylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

153.00958 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.016856 127.0
[M+Na]+ 175.998798 134.5
[M-H]- 152.002304 125.8
[M+NH4]+ 171.043403 146.9
[M+K]+ 191.972738 133.2
[M+H-H2O]+ 136.006840 122.4
[M+HCOO]- 198.007781 143.9
[M+CH3COO]- 212.023431 170.1
[M+Na-2H]- 173.984246 130.5
[M]+ 153.00903142 127.8
[M]- 153.01012858 127.8
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