CID 11127082

94734-13-1

Structural Information

Molecular Formula

C₁₃H₁₈O

SMILES

CC1(CCC(CC1)C2=CC=CC=C2)O

InChI

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

InChIKey

TUIFOAUPMVTQPS-UHFFFAOYSA-N

Compound name

1-methyl-4-phenylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 190.13577 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]+	191.14305	144.5
[M+Na]+	213.12499	157.6
[M+NH4]+	208.16959	155.9
[M+K]+	229.09893	147.9
[M-H]-	189.12849	149.3
[M+Na-2H]-	211.11044	154.2
[M]+	190.13522	148.0
[M]-	190.13632	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe