CID 526207

4-tert-butyl-2-sec-butylphenol

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

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

InChI

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

InChIKey

JKFZLMPBXBMSPD-UHFFFAOYSA-N

Compound name

2-butan-2-yl-4-tert-butylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
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	150.2
[M+Na]+	229.15629	162.3
[M+NH4]+	224.20089	158.4
[M+K]+	245.13023	156.3
[M-H]-	205.15979	151.8
[M+Na-2H]-	227.14174	155.8
[M]+	206.16652	152.5
[M]-	206.16762	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe