CID 44144871

85371-53-5

Structural Information

Molecular Formula
C33H52O2
SMILES
CC(CCC1=CC(=C(C=C1)O)C(C)(C)C2=C(C=CC(=C2)CCC(C)CC(C)(C)C)O)CC(C)(C)C
InChI
InChI=1S/C33H52O2/c1-23(21-31(3,4)5)11-13-25-15-17-29(34)27(19-25)33(9,10)28-20-26(16-18-30(28)35)14-12-24(2)22-32(6,7)8/h15-20,23-24,34-35H,11-14,21-22H2,1-10H3
InChIKey
AEDJBDRIBQPIFS-UHFFFAOYSA-N
Compound name
2-[2-[2-hydroxy-5-(3,5,5-trimethylhexyl)phenyl]propan-2-yl]-4-(3,5,5-trimethylhexyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.39673 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.40401 225.3
[M+Na]+ 503.38595 227.0
[M-H]- 479.38945 227.9
[M+NH4]+ 498.43055 232.6
[M+K]+ 519.35989 222.0
[M+H-H2O]+ 463.39399 217.9
[M+HCOO]- 525.39493 233.9
[M+CH3COO]- 539.41058 243.9
[M+Na-2H]- 501.37140 221.1
[M]+ 480.39618 229.0
[M]- 480.39728 229.0
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

No patent data available for this compound.