CID 3019960

2-pentylcyclopentan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCCCC1CCCC1O

InChI

InChI=1S/C10H20O/c1-2-3-4-6-9-7-5-8-10(9)11/h9-11H,2-8H2,1H3

InChIKey

MWYGSCHWFNRSET-UHFFFAOYSA-N

Compound name

2-pentylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 565
Patents: 156.15141 Da
Monoisotopic Mass: 3.2
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]+	157.158686	138.7
[M+Na]+	179.140628	144.0
[M-H]-	155.144134	140.1
[M+NH4]+	174.185233	160.9
[M+K]+	195.114568	142.1
[M+H-H2O]+	139.148670	133.7
[M+HCOO]-	201.149611	159.4
[M+CH3COO]-	215.165261	175.7
[M+Na-2H]-	177.126076	140.9
[M]+	156.15086142	136.7
[M]-	156.15195858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe