CID 4581365

4855-64-5

Structural Information

Molecular Formula
C22H26O4
SMILES
CC1(C(CC(=O)O1)CCC(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C22H26O4/c1-21(2)17(14-20(25)26-21)12-13-22(3,15-4-8-18(23)9-5-15)16-6-10-19(24)11-7-16/h4-11,17,23-24H,12-14H2,1-3H3
InChIKey
WWWPWLOCWANBSX-UHFFFAOYSA-N
Compound name
4-[3,3-bis(4-hydroxyphenyl)butyl]-5,5-dimethyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1831 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 184.6
[M+Na]+ 377.17232 196.7
[M+NH4]+ 372.21692 192.6
[M+K]+ 393.14626 190.8
[M-H]- 353.17582 189.6
[M+Na-2H]- 375.15777 192.0
[M]+ 354.18255 188.0
[M]- 354.18365 188.0
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.