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]+ 293.174726 165.5
[M+Na]+ 315.156668 173.3
[M-H]- 291.160174 170.9
[M+NH4]+ 310.201273 189.6
[M+K]+ 331.130608 171.7
[M+H-H2O]+ 275.164710 161.3
[M+HCOO]- 337.165651 179.5
[M+CH3COO]- 351.181301 201.7
[M+Na-2H]- 313.142116 169.8
[M]+ 292.16690142 166.0
[M]- 292.16799858 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.