CID 282012

2-amino-3-sulfamoylpropanoic acid

Structural Information

Molecular Formula
C3H8N2O4S
SMILES
C(C(C(=O)O)N)S(=O)(=O)N
InChI
InChI=1S/C3H8N2O4S/c4-2(3(6)7)1-10(5,8)9/h2H,1,4H2,(H,6,7)(H2,5,8,9)
InChIKey
WDOCIKSRUBWQFT-UHFFFAOYSA-N
Compound name
2-amino-3-sulfamoylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

168.02048 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02776 130.7
[M+Na]+ 191.00970 136.9
[M-H]- 167.01320 128.8
[M+NH4]+ 186.05430 149.1
[M+K]+ 206.98364 135.6
[M+H-H2O]+ 151.01774 125.5
[M+HCOO]- 213.01868 146.8
[M+CH3COO]- 227.03433 175.7
[M+Na-2H]- 188.99515 132.4
[M]+ 168.01993 128.9
[M]- 168.02103 128.9
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