CID 170838

Einecs 256-567-1

Structural Information

Molecular Formula
C33H52O2
SMILES
CCC(C)(C)C1=CC(=C(C(=C1)C(C)(C)CC)O)CC2=C(C(=CC(=C2)C(C)(C)CC)C(C)(C)CC)O
InChI
InChI=1S/C33H52O2/c1-13-30(5,6)24-18-22(28(34)26(20-24)32(9,10)15-3)17-23-19-25(31(7,8)14-2)21-27(29(23)35)33(11,12)16-4/h18-21,34-35H,13-17H2,1-12H3
InChIKey
DYVLACUMXYHTTN-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

136
Patents

480.39673 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.40401 222.9
[M+Na]+ 503.38595 226.9
[M-H]- 479.38945 226.3
[M+NH4]+ 498.43055 230.8
[M+K]+ 519.35989 222.0
[M+H-H2O]+ 463.39399 216.1
[M+HCOO]- 525.39493 231.7
[M+CH3COO]- 539.41058 246.7
[M+Na-2H]- 501.37140 221.2
[M]+ 480.39618 228.2
[M]- 480.39728 228.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe