CID 3058297

Phenol, 2-butyl-6-sec-butyl-

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CCCCC1=C(C(=CC=C1)C(C)CC)O

InChI

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

InChIKey

IPBIPEHNUKRTBD-UHFFFAOYSA-N

Compound name

2-butan-2-yl-6-butylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
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]+	207.174346	149.9
[M+Na]+	229.156288	156.4
[M-H]-	205.159794	152.0
[M+NH4]+	224.200893	168.9
[M+K]+	245.130228	153.4
[M+H-H2O]+	189.164330	144.2
[M+HCOO]-	251.165271	170.6
[M+CH3COO]-	265.180921	189.0
[M+Na-2H]-	227.141736	152.3
[M]+	206.16652142	151.4
[M]-	206.16761858	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe