CID 6928

88-24-4

Structural Information

Molecular Formula
C25H36O2
SMILES
CCC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)CC)C(C)(C)C)O
InChI
InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3
InChIKey
GPNYZBKIGXGYNU-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

35644
Patents

368.27155 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27883 193.8
[M+Na]+ 391.26077 201.1
[M-H]- 367.26427 198.4
[M+NH4]+ 386.30537 206.5
[M+K]+ 407.23471 195.9
[M+H-H2O]+ 351.26881 187.3
[M+HCOO]- 413.26975 208.6
[M+CH3COO]- 427.28540 220.9
[M+Na-2H]- 389.24622 193.0
[M]+ 368.27100 197.3
[M]- 368.27210 197.3
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