CID 66662

Antioxidant 80

Structural Information

Molecular Formula
C31H40O3
SMILES
CC1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)C)C(C)(C)C)O)O)CC3=C(C(=CC(=C3)C)C(C)(C)C)O
InChI
InChI=1S/C31H40O3/c1-18-10-21(16-23-12-19(2)14-25(28(23)33)30(4,5)6)27(32)22(11-18)17-24-13-20(3)15-26(29(24)34)31(7,8)9/h10-15,32-34H,16-17H2,1-9H3
InChIKey
LKALLEFLBKHPTQ-UHFFFAOYSA-N
Compound name
2,6-bis[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

10177
Patents

460.29776 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.30504 223.5
[M+Na]+ 483.28698 238.3
[M+NH4]+ 478.33158 229.2
[M+K]+ 499.26092 230.8
[M-H]- 459.29048 228.3
[M+Na-2H]- 481.27243 229.5
[M]+ 460.29721 227.4
[M]- 460.29831 227.4
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