CID 4134035

129188-99-4

Structural Information

Molecular Formula
C21H26O2
SMILES
CC1CC(CC(C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)(C)C
InChI
InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3
InChIKey
UMPGNGRIGSEMTC-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22714
Patents

310.19327 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.20055 175.7
[M+Na]+ 333.18249 190.2
[M+NH4]+ 328.22709 187.4
[M+K]+ 349.15643 178.1
[M-H]- 309.18599 182.1
[M+Na-2H]- 331.16794 187.2
[M]+ 310.19272 180.1
[M]- 310.19382 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe