CID 87924

19072-77-6

Structural Information

Molecular Formula
C31H48O2
SMILES
CC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)O)CC2=C(C(=CC(=C2O)C(C)(C)C)C(C)(C)C)C
InChI
InChI=1S/C31H48O2/c1-18-20(26(32)24(30(9,10)11)16-22(18)28(3,4)5)15-21-19(2)23(29(6,7)8)17-25(27(21)33)31(12,13)14/h16-17,32-33H,15H2,1-14H3
InChIKey
HJZQRZCQTNIROB-UHFFFAOYSA-N
Compound name
4,6-ditert-butyl-2-[(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

452.36542 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.372696 211.6
[M+Na]+ 475.354638 218.6
[M-H]- 451.358144 216.5
[M+NH4]+ 470.399243 221.7
[M+K]+ 491.328578 214.5
[M+H-H2O]+ 435.362680 206.0
[M+HCOO]- 497.363621 221.2
[M+CH3COO]- 511.379271 241.0
[M+Na-2H]- 473.340086 210.0
[M]+ 452.36487142 216.8
[M]- 452.36596858 216.8
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