CID 42295

Hymenoxon

Structural Information

Molecular Formula
C15H22O5
SMILES
C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1C[C@@H](O[C@H]3O)O)C)C(=C)C(=O)O2
InChI
InChI=1S/C15H22O5/c1-7-4-11-9(8(2)13(17)19-11)6-15(3)10(7)5-12(16)20-14(15)18/h7,9-12,14,16,18H,2,4-6H2,1,3H3/t7-,9-,10+,11-,12-,14-,15+/m1/s1
InChIKey
PYINVOHSOZSEPB-DKGLCQEFSA-N
Compound name
(1S,3R,7R,9R,10S,12R,14R)-12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

22
References

4
Patents

282.14673 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15401 164.0
[M+Na]+ 305.13595 170.7
[M+NH4]+ 300.18055 171.3
[M+K]+ 321.10989 168.6
[M-H]- 281.13945 165.8
[M+Na-2H]- 303.12140 162.7
[M]+ 282.14618 165.3
[M]- 282.14728 165.3
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.