CID 100046

71712-04-4

Structural Information

Molecular Formula
C23H32O2
SMILES
CC(C1=CC=C(C=C1)OC)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C23H32O2/c1-15(16-9-11-18(25-8)12-10-16)19-13-17(22(2,3)4)14-20(21(19)24)23(5,6)7/h9-15,24H,1-8H3
InChIKey
DXVHRQUDMSBFHD-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-[1-(4-methoxyphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

340.24023 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.24751 184.5
[M+Na]+ 363.22945 191.1
[M-H]- 339.23295 190.2
[M+NH4]+ 358.27405 198.4
[M+K]+ 379.20339 187.4
[M+H-H2O]+ 323.23749 177.8
[M+HCOO]- 385.23843 200.6
[M+CH3COO]- 399.25408 215.7
[M+Na-2H]- 361.21490 185.4
[M]+ 340.23968 187.7
[M]- 340.24078 187.7
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