CID 20269717

2,3,6-trimethylcyclohexanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC1CCC(C(C1C)O)C

InChI

InChI=1S/C9H18O/c1-6-4-5-7(2)9(10)8(6)3/h6-10H,4-5H2,1-3H3

InChIKey

HTFQSOIWEISWDY-UHFFFAOYSA-N

Compound name

2,3,6-trimethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 87
Patents: 142.13577 Da
Monoisotopic Mass: 2.7
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]+	143.143046	131.6
[M+Na]+	165.124988	138.3
[M-H]-	141.128494	133.9
[M+NH4]+	160.169593	153.3
[M+K]+	181.098928	136.9
[M+H-H2O]+	125.133030	127.2
[M+HCOO]-	187.133971	150.5
[M+CH3COO]-	201.149621	175.2
[M+Na-2H]-	163.110436	134.4
[M]+	142.13522142	127.9
[M]-	142.13631858	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe