CID 218079

40211-07-2

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CCCCCC(C)C1=CC=CC(=C1O)C

InChI

InChI=1S/C14H22O/c1-4-5-6-8-11(2)13-10-7-9-12(3)14(13)15/h7,9-11,15H,4-6,8H2,1-3H3

InChIKey

LEAWUSWKTYDFNS-UHFFFAOYSA-N

Compound name

2-heptan-2-yl-6-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 206.16707 Da
Monoisotopic Mass: 5.2
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	149.9
[M+Na]+	229.15629	162.4
[M+NH4]+	224.20089	158.4
[M+K]+	245.13023	155.1
[M-H]-	205.15979	152.1
[M+Na-2H]-	227.14174	155.6
[M]+	206.16652	152.3
[M]-	206.16762	152.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.