CID 19833533

2-sulfamoylpropanoic acid

Structural Information

Molecular Formula
C3H7NO4S
SMILES
CC(C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C3H7NO4S/c1-2(3(5)6)9(4,7)8/h2H,1H3,(H,5,6)(H2,4,7,8)
InChIKey
QFRAXSIOVXHFED-UHFFFAOYSA-N
Compound name
2-sulfamoylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

153.00958 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.016856 126.9
[M+Na]+ 175.998798 134.1
[M-H]- 152.002304 125.8
[M+NH4]+ 171.043403 146.7
[M+K]+ 191.972738 133.3
[M+H-H2O]+ 136.006840 122.4
[M+HCOO]- 198.007781 142.7
[M+CH3COO]- 212.023431 171.0
[M+Na-2H]- 173.984246 129.3
[M]+ 153.00903142 127.1
[M]- 153.01012858 127.1
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