CID 66662

Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-

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
3
Annotation Hits

2
References

10262
Patents

460.29776 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.305036 218.0
[M+Na]+ 483.286978 225.5
[M-H]- 459.290484 224.8
[M+NH4]+ 478.331583 226.1
[M+K]+ 499.260918 219.5
[M+H-H2O]+ 443.295020 209.8
[M+HCOO]- 505.295961 230.4
[M+CH3COO]- 519.311611 238.4
[M+Na-2H]- 481.272426 214.2
[M]+ 460.29721142 221.5
[M]- 460.29830858 221.5
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