CID 3058306

Phenol, 2-butyl-6-isopropyl-3-methyl-

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CCCCC1=C(C=CC(=C1O)C(C)C)C

InChI

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

InChIKey

CXUXTUZJLWFBQA-UHFFFAOYSA-N

Compound name

2-butyl-3-methyl-6-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
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	148.9
[M+Na]+	229.15629	156.4
[M-H]-	205.15979	151.5
[M+NH4]+	224.20089	168.2
[M+K]+	245.13023	153.5
[M+H-H2O]+	189.16433	143.6
[M+HCOO]-	251.16527	169.6
[M+CH3COO]-	265.18092	190.1
[M+Na-2H]-	227.14174	150.8
[M]+	206.16652	150.8
[M]-	206.16762	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe