CID 99115

21982-83-2

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1=CCC2C1C3C(C(CC2(C)O)O)C(=C)C(=O)O3
InChI
InChI=1S/C15H20O4/c1-7-4-5-9-11(7)13-12(8(2)14(17)19-13)10(16)6-15(9,3)18/h4,9-13,16,18H,2,5-6H2,1,3H3
InChIKey
NKXCPQWCIOWQOE-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-6,9-dimethyl-3-methylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

264.13617 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 157.4
[M+Na]+ 287.12539 164.1
[M+NH4]+ 282.16999 165.2
[M+K]+ 303.09933 163.2
[M-H]- 263.12889 158.0
[M+Na-2H]- 285.11084 157.1
[M]+ 264.13562 158.3
[M]- 264.13672 158.3
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.