CID 80285

2-cyclopentylphenol

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C1CCC(C1)C2=CC=CC=C2O

InChI

InChI=1S/C11H14O/c12-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2

InChIKey

JHEKSKQMOBLXQS-UHFFFAOYSA-N

Compound name

2-cyclopentylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3455
Patents: 162.10446 Da
Monoisotopic Mass: 3.6
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]+	163.11174	135.8
[M+Na]+	185.09368	147.9
[M+NH4]+	180.13828	145.7
[M+K]+	201.06762	142.5
[M-H]-	161.09718	139.8
[M+Na-2H]-	183.07913	143.3
[M]+	162.10391	138.6
[M]-	162.10501	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe