CID 318781

314042-69-8

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(CC2)C(=O)O
InChI
InChI=1S/C14H19NO4S/c1-10-2-8-13(9-3-10)20(18,19)15-12-6-4-11(5-7-12)14(16)17/h2-3,8-9,11-12,15H,4-7H2,1H3,(H,16,17)
InChIKey
PKHCQZVVYAPDCE-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
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]+ 298.11078 165.1
[M+Na]+ 320.09272 169.5
[M-H]- 296.09622 169.6
[M+NH4]+ 315.13732 179.3
[M+K]+ 336.06666 165.9
[M+H-H2O]+ 280.10076 158.3
[M+HCOO]- 342.10170 178.3
[M+CH3COO]- 356.11735 198.9
[M+Na-2H]- 318.07817 166.4
[M]+ 297.10295 163.0
[M]- 297.10405 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.