CID 97962

6972-55-0

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCC(C1CCCCC1O)O

InChI

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

InChIKey

QWTGFHHCNFIYOC-UHFFFAOYSA-N

Compound name

2-(1-hydroxybutyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
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	141.8
[M+Na]+	195.135548	145.5
[M-H]-	171.139054	141.7
[M+NH4]+	190.180153	160.7
[M+K]+	211.109488	143.7
[M+H-H2O]+	155.143590	136.7
[M+HCOO]-	217.144531	158.1
[M+CH3COO]-	231.160181	176.2
[M+Na-2H]-	193.120996	143.5
[M]+	172.14578142	136.6
[M]-	172.14687858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe