CID 11694375

84976-67-0

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CCC1CCC(CC1)C2CCC(CC2)C(=O)O

InChI

InChI=1S/C15H26O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)

InChIKey

OQIHEFMTIUJJET-UHFFFAOYSA-N

Compound name

4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 238.19328 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.20056	159.5
[M+Na]+	261.18250	160.9
[M-H]-	237.18600	162.8
[M+NH4]+	256.22710	175.9
[M+K]+	277.15644	158.1
[M+H-H2O]+	221.19054	152.8
[M+HCOO]-	283.19148	172.9
[M+CH3COO]-	297.20713	191.1
[M+Na-2H]-	259.16795	157.9
[M]+	238.19273	150.8
[M]-	238.19383	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe