CID 57316979

(1-pentylcyclohexyl)methanol

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCCCCC1(CCCCC1)CO

InChI

InChI=1S/C12H24O/c1-2-3-5-8-12(11-13)9-6-4-7-10-12/h13H,2-11H2,1H3

InChIKey

ABCHJPQOHVSJSO-UHFFFAOYSA-N

Compound name

(1-pentylcyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 184.18271 Da
Monoisotopic Mass: 4.3
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]+	185.18999	146.9
[M+Na]+	207.17193	156.7
[M+NH4]+	202.21653	157.0
[M+K]+	223.14587	147.5
[M-H]-	183.17543	148.7
[M+Na-2H]-	205.15738	152.6
[M]+	184.18216	148.8
[M]-	184.18326	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe