CID 3024260

2-isobutoxycyclohexan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC(C)COC1CCCCC1O

InChI

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

InChIKey

QYNMQOJKJIUWRX-UHFFFAOYSA-N

Compound name

2-(2-methylpropoxy)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 172.14633 Da
Monoisotopic Mass: 2.1
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	141.1
[M+Na]+	195.135548	145.2
[M-H]-	171.139054	142.4
[M+NH4]+	190.180153	160.7
[M+K]+	211.109488	144.3
[M+H-H2O]+	155.143590	135.7
[M+HCOO]-	217.144531	158.9
[M+CH3COO]-	231.160181	178.8
[M+Na-2H]-	193.120996	143.3
[M]+	172.14578142	137.8
[M]-	172.14687858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe