CID 18615526

Laurenoniolide

Structural Information

Molecular Formula
C17H22O4
SMILES
C/C/1=C/C(C2C(C/C(=C\CC1)/C)OC(=O)C2=C)OC(=O)C
InChI
InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8-,11-7-
InChIKey
ORJVLIMAQARNOU-ACBQZUGDSA-N
Compound name
[(5Z,9Z)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

290.1518 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15908 162.7
[M+Na]+ 313.14102 170.5
[M-H]- 289.14452 165.6
[M+NH4]+ 308.18562 178.0
[M+K]+ 329.11496 169.4
[M+H-H2O]+ 273.14906 161.2
[M+HCOO]- 335.15000 180.1
[M+CH3COO]- 349.16565 199.8
[M+Na-2H]- 311.12647 161.2
[M]+ 290.15125 161.8
[M]- 290.15235 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.