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

143
Patents

452.36542 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.37270 211.6
[M+Na]+ 475.35464 218.6
[M-H]- 451.35814 216.5
[M+NH4]+ 470.39924 221.7
[M+K]+ 491.32858 214.5
[M+H-H2O]+ 435.36268 206.0
[M+HCOO]- 497.36362 221.2
[M+CH3COO]- 511.37927 241.0
[M+Na-2H]- 473.34009 210.0
[M]+ 452.36487 216.8
[M]- 452.36597 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