CID 2760650

2-(4-methylphenyl)cyclopentan-1-ol

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC1=CC=C(C=C1)C2CCCC2O

InChI

InChI=1S/C12H16O/c1-9-5-7-10(8-6-9)11-3-2-4-12(11)13/h5-8,11-13H,2-4H2,1H3

InChIKey

NCTLUXMEQFNRRT-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)cyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 176.12012 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]+	177.12740	139.7
[M+Na]+	199.10934	152.0
[M+NH4]+	194.15394	149.4
[M+K]+	215.08328	146.6
[M-H]-	175.11284	143.7
[M+Na-2H]-	197.09479	146.8
[M]+	176.11957	142.5
[M]-	176.12067	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe