CID 165438305

2-(1-sulfamoylcyclopropyl)acetic acid

Structural Information

Molecular Formula
C5H9NO4S
SMILES
C1CC1(CC(=O)O)S(=O)(=O)N
InChI
InChI=1S/C5H9NO4S/c6-11(9,10)5(1-2-5)3-4(7)8/h1-3H2,(H,7,8)(H2,6,9,10)
InChIKey
GTLHHMBOMVBHCB-UHFFFAOYSA-N
Compound name
2-(1-sulfamoylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02522 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032496 131.9
[M+Na]+ 202.014438 140.8
[M-H]- 178.017944 134.8
[M+NH4]+ 197.059043 147.7
[M+K]+ 217.988378 138.3
[M+H-H2O]+ 162.022480 127.9
[M+HCOO]- 224.023421 148.2
[M+CH3COO]- 238.039071 177.8
[M+Na-2H]- 199.999886 136.9
[M]+ 179.02467142 135.4
[M]- 179.02576858 135.4
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

No patent data available for this compound.