CID 583831

Cyclopenta[e]tetrahydropyran-2-one, 5-(5-hydroxyindan-1-yl)-4a-methyl-

Structural Information

Molecular Formula
C18H22O3
SMILES
CC12CCC(=O)OC1CCC2C3CCC4=C3C=CC(=C4)O
InChI
InChI=1S/C18H22O3/c1-18-9-8-17(20)21-16(18)7-6-15(18)14-4-2-11-10-12(19)3-5-13(11)14/h3,5,10,14-16,19H,2,4,6-9H2,1H3
InChIKey
RWWNBYYTBMUXRO-UHFFFAOYSA-N
Compound name
5-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-4a-methyl-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1569 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.164176 167.1
[M+Na]+ 309.146118 174.0
[M-H]- 285.149624 174.6
[M+NH4]+ 304.190723 188.4
[M+K]+ 325.120058 170.0
[M+H-H2O]+ 269.154160 162.2
[M+HCOO]- 331.155101 182.3
[M+CH3COO]- 345.170751 178.5
[M+Na-2H]- 307.131566 167.2
[M]+ 286.15635142 163.8
[M]- 286.15744858 163.8
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.