CID 13443844

2-methanesulfonamidopropanoic acid

Structural Information

Molecular Formula
C4H9NO4S
SMILES
CC(C(=O)O)NS(=O)(=O)C
InChI
InChI=1S/C4H9NO4S/c1-3(4(6)7)5-10(2,8)9/h3,5H,1-2H3,(H,6,7)
InChIKey
IVSHKPMKSXBARS-UHFFFAOYSA-N
Compound name
2-(methanesulfonamido)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

167.02522 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032496 130.9
[M+Na]+ 190.014438 137.8
[M-H]- 166.017944 130.2
[M+NH4]+ 185.059043 150.5
[M+K]+ 205.988378 137.1
[M+H-H2O]+ 150.022480 126.3
[M+HCOO]- 212.023421 147.1
[M+CH3COO]- 226.039071 174.7
[M+Na-2H]- 187.999886 133.9
[M]+ 167.02467142 132.5
[M]- 167.02576858 132.5
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