CID 474520

Lactone der.

Structural Information

Molecular Formula
C15H20O3
SMILES
C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)C4=C)CO3
InChI
InChI=1S/C15H20O3/c1-9-10-6-12-14(2,7-11(10)18-13(9)16)4-3-5-15(12)8-17-15/h10-12H,1,3-8H2,2H3/t10-,11-,12-,14-,15+/m1/s1
InChIKey
HQZRHGHRYBWKFN-FWZIUSJTSA-N
Compound name
(3aR,4aR,5R,8aR,9aR)-8a-methyl-3-methylidenespiro[3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-5,2'-oxirane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

248.14125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 157.5
[M+Na]+ 271.13047 166.7
[M-H]- 247.13397 166.0
[M+NH4]+ 266.17507 175.2
[M+K]+ 287.10441 165.7
[M+H-H2O]+ 231.13851 152.8
[M+HCOO]- 293.13945 169.2
[M+CH3COO]- 307.15510 169.2
[M+Na-2H]- 269.11592 162.2
[M]+ 248.14070 157.3
[M]- 248.14180 157.3
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.