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

1
Patents

278.11542 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.122696 165.7
[M+Na]+ 301.104638 175.5
[M-H]- 277.108144 172.8
[M+NH4]+ 296.149243 178.0
[M+K]+ 317.078578 176.6
[M+H-H2O]+ 261.112680 165.3
[M+HCOO]- 323.113621 170.3
[M+CH3COO]- 337.129271 175.2
[M+Na-2H]- 299.090086 169.4
[M]+ 278.11487142 174.1
[M]- 278.11596858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.