CID 16787339

Methyl 3-sulfamoylpropanoate

Structural Information

Molecular Formula
C4H9NO4S
SMILES
COC(=O)CCS(=O)(=O)N
InChI
InChI=1S/C4H9NO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3,(H2,5,7,8)
InChIKey
ICTSDDRYJKMPGS-UHFFFAOYSA-N
Compound name
methyl 3-sulfamoylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
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 131.1
[M+Na]+ 190.01444 138.8
[M-H]- 166.01794 131.3
[M+NH4]+ 185.05904 151.4
[M+K]+ 205.98838 138.2
[M+H-H2O]+ 150.02248 126.2
[M+HCOO]- 212.02342 149.3
[M+CH3COO]- 226.03907 175.0
[M+Na-2H]- 187.99989 134.6
[M]+ 167.02467 134.2
[M]- 167.02577 134.2
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