CID 8398

Antioxidant 2246

Structural Information

Molecular Formula
C23H32O2
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O
InChI
InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3
InChIKey
KGRVJHAUYBGFFP-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

21
References

108191
Patents

340.24023 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.24751 184.6
[M+Na]+ 363.22945 192.7
[M-H]- 339.23295 189.6
[M+NH4]+ 358.27405 198.4
[M+K]+ 379.20339 188.0
[M+H-H2O]+ 323.23749 178.5
[M+HCOO]- 385.23843 200.1
[M+CH3COO]- 399.25408 215.0
[M+Na-2H]- 361.21490 184.8
[M]+ 340.23968 187.4
[M]- 340.24078 187.4
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