CID 28773438

2-(cyclopropylsulfamoyl)acetic acid

Structural Information

Molecular Formula
C5H9NO4S
SMILES
C1CC1NS(=O)(=O)CC(=O)O
InChI
InChI=1S/C5H9NO4S/c7-5(8)3-11(9,10)6-4-1-2-4/h4,6H,1-3H2,(H,7,8)
InChIKey
ZGDOSUNMVQVTBL-UHFFFAOYSA-N
Compound name
2-(cyclopropylsulfamoyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02522 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032496 131.7
[M+Na]+ 202.014438 140.1
[M-H]- 178.017944 135.0
[M+NH4]+ 197.059043 146.0
[M+K]+ 217.988378 137.0
[M+H-H2O]+ 162.022480 126.1
[M+HCOO]- 224.023421 149.1
[M+CH3COO]- 238.039071 178.8
[M+Na-2H]- 199.999886 136.2
[M]+ 179.02467142 135.7
[M]- 179.02576858 135.7
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.