CID 20769663

2-(methylsulfamoyl)acetic acid

Structural Information

Molecular Formula
C3H7NO4S
SMILES
CNS(=O)(=O)CC(=O)O
InChI
InChI=1S/C3H7NO4S/c1-4-9(7,8)2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKey
YSUWQECDOMVAHZ-UHFFFAOYSA-N
Compound name
2-(methylsulfamoyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

153.00958 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.016856 126.6
[M+Na]+ 175.998798 134.2
[M-H]- 152.002304 126.0
[M+NH4]+ 171.043403 146.8
[M+K]+ 191.972738 133.2
[M+H-H2O]+ 136.006840 122.0
[M+HCOO]- 198.007781 144.1
[M+CH3COO]- 212.023431 170.7
[M+Na-2H]- 173.984246 131.1
[M]+ 153.00903142 128.4
[M]- 153.01012858 128.4
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