CID 61084

O-pentylphenol

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCCCCC1=CC=CC=C1O

InChI

InChI=1S/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h5-6,8-9,12H,2-4,7H2,1H3

InChIKey

MEEKGULDSDXFCN-UHFFFAOYSA-N

Compound name

2-pentylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 16208
Patents: 164.12012 Da
Monoisotopic Mass: 4.0
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]+	165.12740	136.5
[M+Na]+	187.10934	149.5
[M+NH4]+	182.15394	145.5
[M+K]+	203.08328	141.9
[M-H]-	163.11284	138.9
[M+Na-2H]-	185.09479	143.6
[M]+	164.11957	139.0
[M]-	164.12067	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe