CID 87981

4,6-di-tert-butyl-3-isopropylphenol

Structural Information

Molecular Formula

C₁₇H₂₈O

SMILES

CC(C)C1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C17H28O/c1-11(2)12-9-15(18)14(17(6,7)8)10-13(12)16(3,4)5/h9-11,18H,1-8H3

InChIKey

IQLVTBHVVRVXST-UHFFFAOYSA-N

Compound name

2,4-ditert-butyl-5-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 248.21402 Da
Monoisotopic Mass: 6.0
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]+	249.22130	160.0
[M+Na]+	271.20324	167.3
[M-H]-	247.20674	162.9
[M+NH4]+	266.24784	178.1
[M+K]+	287.17718	164.8
[M+H-H2O]+	231.21128	155.6
[M+HCOO]-	293.21222	176.7
[M+CH3COO]-	307.22787	198.8
[M+Na-2H]-	269.18869	162.2
[M]+	248.21347	162.0
[M]-	248.21457	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe