CID 74135

6-cyclopentyl-o-cresol

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC1=C(C(=CC=C1)C2CCCC2)O

InChI

InChI=1S/C12H16O/c1-9-5-4-8-11(12(9)13)10-6-2-3-7-10/h4-5,8,10,13H,2-3,6-7H2,1H3

InChIKey

DYQPZDLXQPYGSU-UHFFFAOYSA-N

Compound name

2-cyclopentyl-6-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 176.12012 Da
Monoisotopic Mass: 3.9
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]+	177.127396	138.9
[M+Na]+	199.109338	145.7
[M-H]-	175.112844	144.3
[M+NH4]+	194.153943	160.3
[M+K]+	215.083278	142.5
[M+H-H2O]+	159.117380	133.2
[M+HCOO]-	221.118321	160.6
[M+CH3COO]-	235.133971	178.3
[M+Na-2H]-	197.094786	141.7
[M]+	176.11957142	135.5
[M]-	176.12066858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe