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

literature stripe

Patent stripe

patents stripe