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]+ 168.032496 131.1
[M+Na]+ 190.014438 138.2
[M-H]- 166.017944 130.3
[M+NH4]+ 185.059043 150.7
[M+K]+ 205.988378 137.0
[M+H-H2O]+ 150.022480 126.3
[M+HCOO]- 212.023421 148.3
[M+CH3COO]- 226.039071 173.8
[M+Na-2H]- 187.999886 135.1
[M]+ 167.02467142 133.3
[M]- 167.02576858 133.3
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