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

55
Patents

324.20892 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21620 180.7
[M+Na]+ 347.19814 185.4
[M-H]- 323.20164 187.2
[M+NH4]+ 342.24274 195.2
[M+K]+ 363.17208 180.1
[M+H-H2O]+ 307.20618 173.0
[M+HCOO]- 369.20712 195.2
[M+CH3COO]- 383.22277 205.5
[M+Na-2H]- 345.18359 182.9
[M]+ 324.20837 175.9
[M]- 324.20947 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe