CID 8372

118-82-1

Structural Information

Molecular Formula
C29H44O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3
InChIKey
MDWVSAYEQPLWMX-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

29883
Patents

424.33414 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.341416 205.7
[M+Na]+ 447.323358 212.0
[M-H]- 423.326864 210.3
[M+NH4]+ 442.367963 216.4
[M+K]+ 463.297298 207.8
[M+H-H2O]+ 407.331400 200.0
[M+HCOO]- 469.332341 216.1
[M+CH3COO]- 483.347991 232.6
[M+Na-2H]- 445.308806 206.0
[M]+ 424.33359142 209.4
[M]- 424.33468858 209.4
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