CID 3809323

(6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3ah-azuleno[4,5-b]furan-4-yl) acetate

Structural Information

Molecular Formula
C17H22O5
SMILES
CC1=CCC2C1C3C(C(CC2(C)O)OC(=O)C)C(=C)C(=O)O3
InChI
InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3
InChIKey
XMJROHDIQQOWTO-UHFFFAOYSA-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) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.14673 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15401 168.0
[M+Na]+ 329.13595 174.0
[M+NH4]+ 324.18055 174.9
[M+K]+ 345.10989 173.6
[M-H]- 305.13945 168.1
[M+Na-2H]- 327.12140 166.9
[M]+ 306.14618 168.6
[M]- 306.14728 168.6
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.