CID 168643

P-isooctylphenol

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC(C)CCCCCC1=CC=C(C=C1)O

InChI

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

InChIKey

HVXRCAWUNAOCTA-UHFFFAOYSA-N

Compound name

4-(6-methylheptyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4985
Patents: 206.16707 Da
Monoisotopic Mass: 5.1
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	150.4
[M+Na]+	229.15629	162.4
[M+NH4]+	224.20089	158.8
[M+K]+	245.13023	154.9
[M-H]-	205.15979	152.5
[M+Na-2H]-	227.14174	156.3
[M]+	206.16652	152.7
[M]-	206.16762	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe