CID 12384857

63007-45-4

Structural Information

Molecular Formula

C₁₃H₁₈O

SMILES

CC1CCC(CC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C13H18O/c1-11-7-9-13(14,10-8-11)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3

InChIKey

DZLYRQZEAMYEIA-UHFFFAOYSA-N

Compound name

4-methyl-1-phenylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 190.13577 Da
Monoisotopic Mass: 2.9
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]+	191.143046	143.8
[M+Na]+	213.124988	149.3
[M-H]-	189.128494	148.7
[M+NH4]+	208.169593	164.5
[M+K]+	229.098928	146.2
[M+H-H2O]+	173.133030	137.8
[M+HCOO]-	235.133971	163.0
[M+CH3COO]-	249.149621	180.1
[M+Na-2H]-	211.110436	149.2
[M]+	190.13522142	138.5
[M]-	190.13631858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe