CID 13700

Phenol, 2-octyl-

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CCCCCCCCC1=CC=CC=C1O

InChI

InChI=1S/C14H22O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-7,10H2,1H3

InChIKey

DUIOKRXOKLLURE-UHFFFAOYSA-N

Compound name

2-octylphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 33
References: 39750
Patents: 206.16707 Da
Monoisotopic Mass: 5.6
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]+	207.17435	150.1
[M+Na]+	229.15629	162.5
[M+NH4]+	224.20089	158.7
[M+K]+	245.13023	154.2
[M-H]-	205.15979	152.5
[M+Na-2H]-	227.14174	156.4
[M]+	206.16652	152.6
[M]-	206.16762	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe