CID 3058300

74926-98-0

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CCCC(C)C1=CC=CC(=C1O)C(C)C

InChI

InChI=1S/C14H22O/c1-5-7-11(4)13-9-6-8-12(10(2)3)14(13)15/h6,8-11,15H,5,7H2,1-4H3

InChIKey

LRZHPFKOOGPXPU-UHFFFAOYSA-N

Compound name

2-pentan-2-yl-6-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 206.16707 Da
Monoisotopic Mass: 4.9
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	162.2
[M+NH4]+	224.20089	158.4
[M+K]+	245.13023	155.7
[M-H]-	205.15979	152.1
[M+Na-2H]-	227.14174	155.4
[M]+	206.16652	152.4
[M]-	206.16762	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe