CID 3024606

96672-45-6

Structural Information

Molecular Formula
C34H54O2
SMILES
CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(CC)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C34H54O2/c1-15-23(21-17-25(31(3,4)5)29(35)26(18-21)32(6,7)8)24(16-2)22-19-27(33(9,10)11)30(36)28(20-22)34(12,13)14/h17-20,23-24,35-36H,15-16H2,1-14H3
InChIKey
IHEQIVFCAQAATQ-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)hexan-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.41238 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.41966 222.1
[M+Na]+ 517.40160 225.6
[M-H]- 493.40510 225.8
[M+NH4]+ 512.44620 229.8
[M+K]+ 533.37554 221.9
[M+H-H2O]+ 477.40964 216.0
[M+HCOO]- 539.41058 228.9
[M+CH3COO]- 553.42623 248.6
[M+Na-2H]- 515.38705 218.3
[M]+ 494.41183 226.4
[M]- 494.41293 226.4
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

No patent data available for this compound.