CID 87980

2,4-di-tert-butyl-5-ethylphenol

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CCC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C16H26O/c1-8-11-9-14(17)13(16(5,6)7)10-12(11)15(2,3)4/h9-10,17H,8H2,1-7H3

InChIKey

OATMJDXPGMCSRS-UHFFFAOYSA-N

Compound name

2,4-ditert-butyl-5-ethylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 234.19836 Da
Monoisotopic Mass: 5.7
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]+	235.20564	159.3
[M+Na]+	257.18758	171.4
[M+NH4]+	252.23218	167.1
[M+K]+	273.16152	165.6
[M-H]-	233.19108	160.4
[M+Na-2H]-	255.17303	164.5
[M]+	234.19781	161.6
[M]-	234.19891	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe