CID 6438069

2-(2-hexenyl)cyclopentanole

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCC/C=C/CC1CCCC1O

InChI

InChI=1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h4-5,10-12H,2-3,6-9H2,1H3/b5-4+

InChIKey

OLPVLAJYJZWXPZ-SNAWJCMRSA-N

Compound name

2-[(E)-hex-2-enyl]cyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 26
Patents: 168.15141 Da
Monoisotopic Mass: 3.0
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]+	169.158686	142.2
[M+Na]+	191.140628	147.5
[M-H]-	167.144134	143.6
[M+NH4]+	186.185233	164.0
[M+K]+	207.114568	144.7
[M+H-H2O]+	151.148670	137.1
[M+HCOO]-	213.149611	162.8
[M+CH3COO]-	227.165261	177.2
[M+Na-2H]-	189.126076	143.9
[M]+	168.15086142	139.8
[M]-	168.15195858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe