CID 44151356

93803-58-8

Structural Information

Molecular Formula
C29H40O2
SMILES
CC(C)C1=CC(=C(C(=C1)C2CCCC2)O)CC3=C(C(=CC(=C3)C(C)C)C4CCCC4)O
InChI
InChI=1S/C29H40O2/c1-18(2)22-13-24(28(30)26(16-22)20-9-5-6-10-20)15-25-14-23(19(3)4)17-27(29(25)31)21-11-7-8-12-21/h13-14,16-21,30-31H,5-12,15H2,1-4H3
InChIKey
LFKIOZVKIKEHNB-UHFFFAOYSA-N
Compound name
2-cyclopentyl-6-[(3-cyclopentyl-2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.30283 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.31011 208.8
[M+Na]+ 443.29205 210.7
[M-H]- 419.29555 218.2
[M+NH4]+ 438.33665 221.0
[M+K]+ 459.26599 204.4
[M+H-H2O]+ 403.30009 201.3
[M+HCOO]- 465.30103 221.9
[M+CH3COO]- 479.31668 227.6
[M+Na-2H]- 441.27750 197.2
[M]+ 420.30228 204.2
[M]- 420.30338 204.2
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

No patent data available for this compound.