CID 85398159

Cyclocalopin c1

Structural Information

Molecular Formula
C15H20O6
SMILES
CC1COC(=O)C2C1C3(C=CC(=C)C(C3O)O)C(O2)(C)O
InChI
InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4-5,8-12,16-17,19H,1,6H2,2-3H3
InChIKey
JCKVAXRAVFAUJA-UHFFFAOYSA-N
Compound name
2,4',5'-trihydroxy-2,4-dimethyl-6'-methylidenespiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,3'-cyclohexene]-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

296.12598 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13326 164.1
[M+Na]+ 319.11520 172.7
[M+NH4]+ 314.15980 172.8
[M+K]+ 335.08914 168.2
[M-H]- 295.11870 166.4
[M+Na-2H]- 317.10065 165.3
[M]+ 296.12543 165.9
[M]- 296.12653 165.9
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.