CID 299604

101564-25-4

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

C1CCC(CC1)CC2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H24O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-13H,1-10H2,(H,15,16)

InChIKey

YARQMPDXVPZULU-UHFFFAOYSA-N

Compound name

4-(cyclohexylmethyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.17763 Da
Monoisotopic Mass: 4.9
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]+	225.18491	155.5
[M+Na]+	247.16685	156.3
[M-H]-	223.17035	158.6
[M+NH4]+	242.21145	172.1
[M+K]+	263.14079	153.8
[M+H-H2O]+	207.17489	148.7
[M+HCOO]-	269.17583	169.2
[M+CH3COO]-	283.19148	186.9
[M+Na-2H]-	245.15230	155.1
[M]+	224.17708	146.0
[M]-	224.17818	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe