CID 21287077

Methyl 2-sulfamoylacetate

Structural Information

Molecular Formula
C3H7NO4S
SMILES
COC(=O)CS(=O)(=O)N
InChI
InChI=1S/C3H7NO4S/c1-8-3(5)2-9(4,6)7/h2H2,1H3,(H2,4,6,7)
InChIKey
SJPYIEJWHOYGMF-UHFFFAOYSA-N
Compound name
methyl 2-sulfamoylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

153.00958 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01686 126.6
[M+Na]+ 175.99880 134.7
[M-H]- 152.00230 127.0
[M+NH4]+ 171.04340 147.4
[M+K]+ 191.97274 134.3
[M+H-H2O]+ 136.00684 121.9
[M+HCOO]- 198.00778 145.1
[M+CH3COO]- 212.02343 172.0
[M+Na-2H]- 173.98425 130.6
[M]+ 153.00903 129.3
[M]- 153.01013 129.3
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