CID 103974

51806-69-0

Structural Information

Molecular Formula

C₁₇H₂₆O

SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)C2CCCCC2

InChI

InChI=1S/C17H26O/c1-12-10-14(13-8-6-5-7-9-13)16(18)15(11-12)17(2,3)4/h10-11,13,18H,5-9H2,1-4H3

InChIKey

JXGACSBVPLKCJV-UHFFFAOYSA-N

Compound name

2-tert-butyl-6-cyclohexyl-4-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 246.19836 Da
Monoisotopic Mass: 6.1
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]+	247.20564	161.2
[M+Na]+	269.18758	173.7
[M+NH4]+	264.23218	170.2
[M+K]+	285.16152	166.5
[M-H]-	245.19108	165.3
[M+Na-2H]-	267.17303	167.8
[M]+	246.19781	164.3
[M]-	246.19891	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe