CID 457959

Coronopolin

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1CCC2C(C3(C1(CCC3=O)O)C)OC(=O)C2=C
InChI
InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3
InChIKey
GEUJJEYGSRWXPC-UHFFFAOYSA-N
Compound name
6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

264.13617 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 157.1
[M+Na]+ 287.12539 164.6
[M-H]- 263.12889 163.1
[M+NH4]+ 282.16999 180.1
[M+K]+ 303.09933 162.7
[M+H-H2O]+ 247.13343 155.0
[M+HCOO]- 309.13437 171.6
[M+CH3COO]- 323.15002 196.2
[M+Na-2H]- 285.11084 158.2
[M]+ 264.13562 152.8
[M]- 264.13672 152.8
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.