CID 474521

5alpha-epoxyalantolactone

Structural Information

Molecular Formula
C15H20O3
SMILES
C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)C4=C)C
InChI
InChI=1S/C15H20O3/c1-8-5-4-6-14(3)7-10-11(9(2)13(16)17-10)12-15(8,14)18-12/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11+,12-,14+,15-/m0/s1
InChIKey
YIQKVCDNUFDAHB-HKKVUVRFSA-N
Compound name
(1R,3S,4R,8R,10R,14S)-10,14-dimethyl-5-methylidene-2,7-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

248.14125 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 155.9
[M+Na]+ 271.13047 166.0
[M-H]- 247.13397 164.2
[M+NH4]+ 266.17507 174.2
[M+K]+ 287.10441 164.8
[M+H-H2O]+ 231.13851 151.6
[M+HCOO]- 293.13945 167.6
[M+CH3COO]- 307.15510 168.1
[M+Na-2H]- 269.11592 160.8
[M]+ 248.14070 158.0
[M]- 248.14180 158.0
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.