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

206
Patents

153.00958 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01686 127.0
[M+Na]+ 175.99880 134.5
[M-H]- 152.00230 125.8
[M+NH4]+ 171.04340 146.9
[M+K]+ 191.97274 133.2
[M+H-H2O]+ 136.00684 122.4
[M+HCOO]- 198.00778 143.9
[M+CH3COO]- 212.02343 170.1
[M+Na-2H]- 173.98425 130.5
[M]+ 153.00903 127.8
[M]- 153.01013 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