CID 116868

2,5-dimethyl-4,6-di-tert-butylphenol

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CC1=CC(=C(C(=C1O)C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C16H26O/c1-10-9-12(15(3,4)5)11(2)13(14(10)17)16(6,7)8/h9,17H,1-8H3

InChIKey

OMJSSPXSNTYUNK-UHFFFAOYSA-N

Compound name

2,4-ditert-butyl-3,6-dimethylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 234.19836 Da
Monoisotopic Mass: 5.6
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]+	235.205636	155.3
[M+Na]+	257.187578	164.2
[M-H]-	233.191084	158.6
[M+NH4]+	252.232183	174.3
[M+K]+	273.161518	161.5
[M+H-H2O]+	217.195620	151.2
[M+HCOO]-	279.196561	173.2
[M+CH3COO]-	293.212211	196.2
[M+Na-2H]-	255.173026	158.5
[M]+	234.19781142	157.9
[M]-	234.19890858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe