CID 294650

Dipentenebisphenol

Structural Information

Molecular Formula

C₂₂H₂₈O₂

SMILES

CC1(CCC(CC1)C(C)(C)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H28O2/c1-21(2,16-4-8-19(23)9-5-16)17-12-14-22(3,15-13-17)18-6-10-20(24)11-7-18/h4-11,17,23-24H,12-15H2,1-3H3

InChIKey

SPWZOJAIQZNNDX-UHFFFAOYSA-N

Compound name

4-[4-[2-(4-hydroxyphenyl)propan-2-yl]-1-methylcyclohexyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 324.20892 Da
Monoisotopic Mass: 6.8
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]+	325.216196	180.7
[M+Na]+	347.198138	185.4
[M-H]-	323.201644	187.2
[M+NH4]+	342.242743	195.2
[M+K]+	363.172078	180.1
[M+H-H2O]+	307.206180	173.0
[M+HCOO]-	369.207121	195.2
[M+CH3COO]-	383.222771	205.5
[M+Na-2H]-	345.183586	182.9
[M]+	324.20837142	175.9
[M]-	324.20946858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe