CID 23443040

Trimethyl hydroxymethyl cyclohexanol

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC1CC(CC(C1CO)O)(C)C

InChI

InChI=1S/C10H20O2/c1-7-4-10(2,3)5-9(12)8(7)6-11/h7-9,11-12H,4-6H2,1-3H3

InChIKey

JVONGXDERNPTPQ-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-3,5,5-trimethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 456
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	139.0
[M+Na]+	195.135548	145.8
[M-H]-	171.139054	140.1
[M+NH4]+	190.180153	160.8
[M+K]+	211.109488	143.9
[M+H-H2O]+	155.143590	135.5
[M+HCOO]-	217.144531	156.3
[M+CH3COO]-	231.160181	177.3
[M+Na-2H]-	193.120996	142.1
[M]+	172.14578142	135.7
[M]-	172.14687858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe