CID 100577

71712-03-3

Structural Information

Molecular Formula
C22H30O2
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C22H30O2/c1-21(2,3)17-13-16(20(23)19(14-17)22(4,5)6)12-15-8-10-18(24-7)11-9-15/h8-11,13-14,23H,12H2,1-7H3
InChIKey
DLDDIHRRFIDSOW-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-[(4-methoxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

537
Patents

326.22458 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.231856 181.3
[M+Na]+ 349.213798 188.6
[M-H]- 325.217304 187.1
[M+NH4]+ 344.258403 195.9
[M+K]+ 365.187738 184.6
[M+H-H2O]+ 309.221840 174.6
[M+HCOO]- 371.222781 198.7
[M+CH3COO]- 385.238431 211.8
[M+Na-2H]- 347.199246 183.7
[M]+ 326.22403142 184.8
[M]- 326.22512858 184.8
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