CID 81340

3,5-di-tert-butyl-4-hydroxybenzyl ether

Structural Information

Molecular Formula
C30H46O3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C30H46O3/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3
InChIKey
HWCZIOQRLAPHDF-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methoxymethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3360
Patents

454.3447 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.35198 220.7
[M+Na]+ 477.33392 231.5
[M+NH4]+ 472.37852 225.3
[M+K]+ 493.30786 226.6
[M-H]- 453.33742 221.6
[M+Na-2H]- 475.31937 224.4
[M]+ 454.34415 222.9
[M]- 454.34525 222.9
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

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