CID 21685

2,6-di-sec-butylphenol

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

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

InChI

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

InChIKey

FHTGJZOULSYEOB-UHFFFAOYSA-N

Compound name

2,6-di(butan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 2891
Patents: 206.16707 Da
Monoisotopic Mass: 4.4
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