CID 14034040

(3,3-dimethylcyclohexyl)methanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC1(CCCC(C1)CO)C

InChI

InChI=1S/C9H18O/c1-9(2)5-3-4-8(6-9)7-10/h8,10H,3-7H2,1-2H3

InChIKey

VJZDBRGSBDTGKQ-UHFFFAOYSA-N

Compound name

(3,3-dimethylcyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 142.13577 Da
Monoisotopic Mass: 2.6
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]+	143.14305	132.7
[M+Na]+	165.12499	143.5
[M+NH4]+	160.16959	143.4
[M+K]+	181.09893	135.3
[M-H]-	141.12849	134.7
[M+Na-2H]-	163.11044	139.1
[M]+	142.13522	134.9
[M]-	142.13632	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe