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
3
Annotation Hits

0
References

19566
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 175.8
[M+Na]+ 333.18249 182.6
[M-H]- 309.18599 183.1
[M+NH4]+ 328.22709 193.3
[M+K]+ 349.15643 177.3
[M+H-H2O]+ 293.19053 168.3
[M+HCOO]- 355.19147 192.3
[M+CH3COO]- 369.20712 202.9
[M+Na-2H]- 331.16794 178.1
[M]+ 310.19272 172.0
[M]- 310.19382 172.0
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

No patent data available for this compound.