CID 110954

Einecs 230-721-8

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
3
Annotation Hits

0
References

1922
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 193.0
[M+Na]+ 391.26077 199.2
[M-H]- 367.26427 197.4
[M+NH4]+ 386.30537 205.3
[M+K]+ 407.23471 194.5
[M+H-H2O]+ 351.26881 186.2
[M+HCOO]- 413.26975 207.4
[M+CH3COO]- 427.28540 222.8
[M+Na-2H]- 389.24622 188.8
[M]+ 368.27100 195.8
[M]- 368.27210 195.8
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