CID 110954

7292-14-0

Structural Information

Molecular Formula
C25H36O2
SMILES
CC1=CC(=C(C(=C1)C(CC(C)CC(C)(C)C)C2=CC(=CC(=C2O)C)C)O)C
InChI
InChI=1S/C25H36O2/c1-15-9-18(4)23(26)21(11-15)20(13-17(3)14-25(6,7)8)22-12-16(2)10-19(5)24(22)27/h9-12,17,20,26-27H,13-14H2,1-8H3
InChIKey
RPWDFMGIRPZGTI-UHFFFAOYSA-N
Compound name
2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1843
Patents

368.27155 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27883 196.7
[M+Na]+ 391.26077 209.6
[M+NH4]+ 386.30537 203.3
[M+K]+ 407.23471 203.0
[M-H]- 367.26427 199.8
[M+Na-2H]- 389.24622 201.4
[M]+ 368.27100 199.7
[M]- 368.27210 199.7
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