CID 3024606

Brn 3018806

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 233.3
[M+Na]+ 517.40160 243.1
[M+NH4]+ 512.44620 237.6
[M+K]+ 533.37554 238.4
[M-H]- 493.40510 234.2
[M+Na-2H]- 515.38705 235.8
[M]+ 494.41183 235.4
[M]- 494.41293 235.4
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.