CID 519465

Dihydronepetalactone

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1CCC2C1C(=O)OCC2C
InChI
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3
InChIKey
LSRNBGXEEKNZHN-UHFFFAOYSA-N
Compound name
4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

67
Patents

168.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.8
[M+Na]+ 191.10426 146.5
[M+NH4]+ 186.14886 145.2
[M+K]+ 207.07820 142.6
[M-H]- 167.10776 138.9
[M+Na-2H]- 189.08971 138.2
[M]+ 168.11449 138.0
[M]- 168.11559 138.0
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.