CID 15808

2,4-di-sec-butylphenol

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CCC(C)C1=CC(=C(C=C1)O)C(C)CC

InChI

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

InChIKey

JERZAOOJWPHIDG-UHFFFAOYSA-N

Compound name

2,4-di(butan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 265
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]+	207.174346	149.8
[M+Na]+	229.156288	156.1
[M-H]-	205.159794	152.1
[M+NH4]+	224.200893	168.7
[M+K]+	245.130228	153.6
[M+H-H2O]+	189.164330	144.3
[M+HCOO]-	251.165271	169.5
[M+CH3COO]-	265.180921	189.8
[M+Na-2H]-	227.141736	151.0
[M]+	206.16652142	150.7
[M]-	206.16761858	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe