CID 6313698

Annuolide g

Structural Information

Molecular Formula
C20H26O5
SMILES
C/C=C(\C)/C(=O)OC1CC(C2CC=C(C2C3C1C(=C)C(=O)O3)C)(C)O
InChI
InChI=1S/C20H26O5/c1-6-10(2)18(21)24-14-9-20(5,23)13-8-7-11(3)15(13)17-16(14)12(4)19(22)25-17/h6-7,13-17,23H,4,8-9H2,1-3,5H3/b10-6+
InChIKey
CSBHDWDGNXOEPU-UXBLZVDNSA-N
Compound name
(6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.178 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.185276 179.6
[M+Na]+ 369.167218 185.4
[M-H]- 345.170724 185.5
[M+NH4]+ 364.211823 197.8
[M+K]+ 385.141158 184.7
[M+H-H2O]+ 329.175260 177.5
[M+HCOO]- 391.176201 192.4
[M+CH3COO]- 405.191851 213.2
[M+Na-2H]- 367.152666 175.7
[M]+ 346.17745142 177.8
[M]- 346.17854858 177.8
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.