CID 500892

Methyl (1s,6s,10s)-1,6,10-trimethyl-5-oxa-4-oxotricyclo[7.4.0.0<2,6>]tridec-7-ene-10-carboxylate

Structural Information

Molecular Formula
C17H24O4
SMILES
C[C@]12CCC[C@]([C@@H]1C=C[C@]3(C2CC(=O)O3)C)(C)C(=O)OC
InChI
InChI=1S/C17H24O4/c1-15-7-5-8-16(2,14(19)20-4)11(15)6-9-17(3)12(15)10-13(18)21-17/h6,9,11-12H,5,7-8,10H2,1-4H3/t11-,12?,15+,16+,17+/m1/s1
InChIKey
KRYGNOIQTMAIDR-ZJDSXEOWSA-N
Compound name
methyl (3aS,5aR,6S,9aS)-3a,6,9a-trimethyl-2-oxo-1,5a,7,8,9,9b-hexahydrobenzo[e][1]benzofuran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.16745 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 165.5
[M+Na]+ 315.15667 173.3
[M-H]- 291.16017 170.9
[M+NH4]+ 310.20127 189.6
[M+K]+ 331.13061 171.7
[M+H-H2O]+ 275.16471 161.3
[M+HCOO]- 337.16565 179.5
[M+CH3COO]- 351.18130 201.7
[M+Na-2H]- 313.14212 169.8
[M]+ 292.16690 166.0
[M]- 292.16800 166.0
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.