CID 3126233

87144-92-1

Structural Information

Molecular Formula

C₁₇H₃₂O

SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)O

InChI

InChI=1S/C17H32O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-18H,2-13H2,1H3

InChIKey

LGORKSSOIBSSJH-UHFFFAOYSA-N

Compound name

4-(4-pentylcyclohexyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 252.24532 Da
Monoisotopic Mass: 6.2
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]+	253.25260	166.6
[M+Na]+	275.23454	167.1
[M-H]-	251.23804	169.4
[M+NH4]+	270.27914	182.7
[M+K]+	291.20848	163.4
[M+H-H2O]+	235.24258	159.4
[M+HCOO]-	297.24352	179.9
[M+CH3COO]-	311.25917	195.0
[M+Na-2H]-	273.21999	165.0
[M]+	252.24477	158.4
[M]-	252.24587	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe