CID 76966357

Coriamyrtine

Structural Information

Molecular Formula
C15H18O5
SMILES
CC(=C)[C@H]1[C@@H]2C[C@]3([C@@]4(CO4)[C@H]5[C@@H]([C@]3([C@H]1C(=O)O2)O)O5)C
InChI
InChI=1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9+,10+,11-,13-,14+,15-/m0/s1
InChIKey
BWWDLKVKPVKBGJ-OVAVOLFMSA-N
Compound name
(1S,2R,3S,5R,6R,7R,9S,12S)-2-hydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

278.11542 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12270 165.7
[M+Na]+ 301.10464 175.5
[M-H]- 277.10814 172.8
[M+NH4]+ 296.14924 178.0
[M+K]+ 317.07858 176.6
[M+H-H2O]+ 261.11268 165.3
[M+HCOO]- 323.11362 170.3
[M+CH3COO]- 337.12927 175.2
[M+Na-2H]- 299.09009 169.4
[M]+ 278.11487 174.1
[M]- 278.11597 174.1
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.