CID 14148292

3-(methylsulfamoyl)propanoic acid

Structural Information

Molecular Formula
C4H9NO4S
SMILES
CNS(=O)(=O)CCC(=O)O
InChI
InChI=1S/C4H9NO4S/c1-5-10(8,9)3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKey
MZDBJRROCIFXFX-UHFFFAOYSA-N
Compound name
3-(methylsulfamoyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

167.02522 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03250 133.9
[M+Na]+ 190.01444 140.8
[M+NH4]+ 185.05904 139.4
[M+K]+ 205.98838 136.8
[M-H]- 166.01794 130.7
[M+Na-2H]- 187.99989 134.9
[M]+ 167.02467 133.9
[M]- 167.02577 133.9
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