CID 44451457

1-deoxyrubralactone

Structural Information

Molecular Formula
C14H12O5
SMILES
CC1CC(=O)C2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2
InChI
InChI=1S/C14H12O5/c1-6-3-10(16)13-11(6)8-4-7(18-2)5-9(15)12(8)14(17)19-13/h4-6,15H,3H2,1-2H3
InChIKey
WCUQVKQCPDVPRC-UHFFFAOYSA-N
Compound name
6-hydroxy-8-methoxy-1-methyl-1,2-dihydrocyclopenta[c]isochromene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.06848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07576 153.0
[M+Na]+ 283.05770 166.8
[M+NH4]+ 278.10230 160.9
[M+K]+ 299.03164 163.3
[M-H]- 259.06120 155.7
[M+Na-2H]- 281.04315 155.8
[M]+ 260.06793 155.7
[M]- 260.06903 155.7
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.