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]+ 347.18528 179.6
[M+Na]+ 369.16722 185.4
[M-H]- 345.17072 185.5
[M+NH4]+ 364.21182 197.8
[M+K]+ 385.14116 184.7
[M+H-H2O]+ 329.17526 177.5
[M+HCOO]- 391.17620 192.4
[M+CH3COO]- 405.19185 213.2
[M+Na-2H]- 367.15267 175.7
[M]+ 346.17745 177.8
[M]- 346.17855 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.