CID 18459383

Isooctylcyclohexan-1-ol

Structural Information

Molecular Formula

C₁₄H₂₈O

SMILES

CC(C)CCCCCC1(CCCCC1)O

InChI

InChI=1S/C14H28O/c1-13(2)9-5-3-6-10-14(15)11-7-4-8-12-14/h13,15H,3-12H2,1-2H3

InChIKey

GZYCLDGVYJRXDO-UHFFFAOYSA-N

Compound name

1-(6-methylheptyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 212.21402 Da
Monoisotopic Mass: 4.8
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]+	213.22130	156.5
[M+Na]+	235.20324	158.8
[M-H]-	211.20674	157.0
[M+NH4]+	230.24784	176.2
[M+K]+	251.17718	156.7
[M+H-H2O]+	195.21128	151.1
[M+HCOO]-	257.21222	172.7
[M+CH3COO]-	271.22787	187.3
[M+Na-2H]-	233.18869	158.2
[M]+	212.21347	153.0
[M]-	212.21457	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe