CID 80496

6286-28-8

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

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

InChI

InChI=1S/C16H26O/c1-11-8-12(2)14(17)13(9-11)16(6,7)10-15(3,4)5/h8-9,17H,10H2,1-7H3

InChIKey

ZXLSNLZXWMSDNF-UHFFFAOYSA-N

Compound name

2,4-dimethyl-6-(2,4,4-trimethylpentan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
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	156.5
[M+Na]+	257.18758	164.3
[M-H]-	233.19108	159.4
[M+NH4]+	252.23218	175.1
[M+K]+	273.16152	161.5
[M+H-H2O]+	217.19562	152.0
[M+HCOO]-	279.19656	174.4
[M+CH3COO]-	293.21221	195.6
[M+Na-2H]-	255.17303	160.2
[M]+	234.19781	158.8
[M]-	234.19891	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe