CID 19834598

2923845-05-8

Structural Information

Molecular Formula
C3H7NO5S
SMILES
CNS(=O)(=O)OCC(=O)O
InChI
InChI=1S/C3H7NO5S/c1-4-10(7,8)9-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKey
UROVVFXXONFZEW-UHFFFAOYSA-N
Compound name
2-(methylsulfamoyloxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.00449 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01177 129.2
[M+Na]+ 191.99371 136.6
[M-H]- 167.99721 128.5
[M+NH4]+ 187.03831 148.7
[M+K]+ 207.96765 136.1
[M+H-H2O]+ 152.00175 124.4
[M+HCOO]- 214.00269 147.0
[M+CH3COO]- 228.01834 172.9
[M+Na-2H]- 189.97916 134.0
[M]+ 169.00394 132.5
[M]- 169.00504 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

No patent data available for this compound.