CID 124252697

4-sulfamoylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H13NO4S
SMILES
C1CC(CCC1C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C7H13NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H,9,10)(H2,8,11,12)
InChIKey
GFKMTTKAFOHTFF-UHFFFAOYSA-N
Compound name
4-sulfamoylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.05653 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063806 141.6
[M+Na]+ 230.045748 146.8
[M-H]- 206.049254 142.7
[M+NH4]+ 225.090353 159.2
[M+K]+ 246.019688 144.7
[M+H-H2O]+ 190.053790 136.5
[M+HCOO]- 252.054731 154.7
[M+CH3COO]- 266.070381 180.1
[M+Na-2H]- 228.031196 143.0
[M]+ 207.05598142 138.0
[M]- 207.05707858 138.0
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