CID 79105

3,3-dimethylcyclohexanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC1(CCCC(C1)O)C

InChI

InChI=1S/C8H16O/c1-8(2)5-3-4-7(9)6-8/h7,9H,3-6H2,1-2H3

InChIKey

DQBDGNSFXSCBJX-UHFFFAOYSA-N

Compound name

3,3-dimethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 362
Patents: 128.12012 Da
Monoisotopic Mass: 2.2
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]+	129.127396	127.9
[M+Na]+	151.109338	134.1
[M-H]-	127.112844	130.0
[M+NH4]+	146.153943	151.6
[M+K]+	167.083278	133.1
[M+H-H2O]+	111.117380	124.0
[M+HCOO]-	173.118321	147.2
[M+CH3COO]-	187.133971	169.4
[M+Na-2H]-	149.094786	133.7
[M]+	128.11957142	123.4
[M]-	128.12066858	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe