CID 11970847

Alpha-butyl-2-hydroxycyclopentanemethanol

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCC(C1CCCC1O)O

InChI

InChI=1S/C10H20O2/c1-2-3-6-9(11)8-5-4-7-10(8)12/h8-12H,2-7H2,1H3

InChIKey

JTZFISXWDUSGDL-UHFFFAOYSA-N

Compound name

2-(1-hydroxypentyl)cyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.14633 Da
Monoisotopic Mass: 2.4
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]+	173.153606	143.0
[M+Na]+	195.135548	147.5
[M-H]-	171.139054	143.1
[M+NH4]+	190.180153	163.7
[M+K]+	211.109488	145.6
[M+H-H2O]+	155.143590	138.1
[M+HCOO]-	217.144531	161.3
[M+CH3COO]-	231.160181	175.9
[M+Na-2H]-	193.120996	143.4
[M]+	172.14578142	139.8
[M]-	172.14687858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.