CID 54687908

2(5h)-furanone, 5-(2-cyclohexylethyl)-3-(cyclopropylphenylmethyl)-4-hydroxy-

Structural Information

Molecular Formula
C22H28O3
SMILES
C1CCC(CC1)CCC2C(=C(C(=O)O2)C(C3CC3)C4=CC=CC=C4)O
InChI
InChI=1S/C22H28O3/c23-21-18(14-11-15-7-3-1-4-8-15)25-22(24)20(21)19(17-12-13-17)16-9-5-2-6-10-16/h2,5-6,9-10,15,17-19,23H,1,3-4,7-8,11-14H2
InChIKey
LQEHREBKBQGIJK-UHFFFAOYSA-N
Compound name
2-(2-cyclohexylethyl)-4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.20386 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.21114 174.8
[M+Na]+ 363.19308 179.3
[M-H]- 339.19658 186.0
[M+NH4]+ 358.23768 182.9
[M+K]+ 379.16702 175.6
[M+H-H2O]+ 323.20112 167.2
[M+HCOO]- 385.20206 190.9
[M+CH3COO]- 399.21771 184.2
[M+Na-2H]- 361.17853 172.9
[M]+ 340.20331 173.5
[M]- 340.20441 173.5
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.