CID 165639047

2354173-10-5

Structural Information

Molecular Formula
C14H19NO4S
SMILES
C1CC(CCC1CC2=CC=CC=C2S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C14H19NO4S/c15-20(18,19)13-4-2-1-3-12(13)9-10-5-7-11(8-6-10)14(16)17/h1-4,10-11H,5-9H2,(H,16,17)(H2,15,18,19)
InChIKey
CTUAUEFZQAKSFO-UHFFFAOYSA-N
Compound name
4-[(2-sulfamoylphenyl)methyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.110776 165.7
[M+Na]+ 320.092718 170.1
[M-H]- 296.096224 169.6
[M+NH4]+ 315.137323 179.6
[M+K]+ 336.066658 166.1
[M+H-H2O]+ 280.100760 158.9
[M+HCOO]- 342.101701 178.2
[M+CH3COO]- 356.117351 198.4
[M+Na-2H]- 318.078166 165.9
[M]+ 297.10295142 162.5
[M]- 297.10404858 162.5
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.