CID 44150507

93893-71-1

Structural Information

Molecular Formula
C31H44O2
SMILES
CC1=CC(=C(C(=C1)C2CCCCCCC2)O)CC3=C(C(=CC(=C3)C)C4CCCCCCC4)O
InChI
InChI=1S/C31H44O2/c1-22-17-26(30(32)28(19-22)24-13-9-5-3-6-10-14-24)21-27-18-23(2)20-29(31(27)33)25-15-11-7-4-8-12-16-25/h17-20,24-25,32-33H,3-16,21H2,1-2H3
InChIKey
UENGFOPWDIIZTB-UHFFFAOYSA-N
Compound name
2-cyclooctyl-6-[(3-cyclooctyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.33414 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.34142 130.1
[M+Na]+ 471.32336 130.9
[M-H]- 447.32686 130.5
[M+NH4]+ 466.36796 130.5
[M+K]+ 487.29730 131.1
[M+H-H2O]+ 431.33140 129.0
[M+HCOO]- 493.33234 130.4
[M+CH3COO]- 507.34799 130.0
[M+Na-2H]- 469.30881 128.8
[M]+ 448.33359 129.7
[M]- 448.33469 129.7
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.