CID 102913

2-tert-butyloxycyclohexan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC(C)(C)OC1CCCCC1O

InChI

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

InChIKey

ZJLNOFGIRHSFLR-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 172.14633 Da
Monoisotopic Mass: 1.7
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	140.6
[M+Na]+	195.135548	145.5
[M-H]-	171.139054	142.2
[M+NH4]+	190.180153	160.5
[M+K]+	211.109488	144.6
[M+H-H2O]+	155.143590	135.9
[M+HCOO]-	217.144531	157.9
[M+CH3COO]-	231.160181	177.7
[M+Na-2H]-	193.120996	144.9
[M]+	172.14578142	137.4
[M]-	172.14687858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe