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

1
Patents

207.05653 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06381 142.3
[M+Na]+ 230.04575 148.8
[M+NH4]+ 225.09035 148.3
[M+K]+ 246.01969 144.9
[M-H]- 206.04925 141.1
[M+Na-2H]- 228.03120 143.8
[M]+ 207.05598 142.8
[M]- 207.05708 142.8
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