CID 25202757

2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-yl-6,7-dihydronaphthalene-1-carbaldehyde

Structural Information

Molecular Formula
C15H16O5
SMILES
CC1CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)O)O)C=O
InChI
InChI=1S/C15H16O5/c1-6(2)10-12-11(8(5-16)14(19)15(10)20)9(17)4-7(3)13(12)18/h5-7,19-20H,4H2,1-3H3
InChIKey
FPEUYSMTHKWFTD-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-yl-6,7-dihydronaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.09976 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.107036 157.1
[M+Na]+ 299.088978 166.9
[M-H]- 275.092484 159.9
[M+NH4]+ 294.133583 174.0
[M+K]+ 315.062918 163.6
[M+H-H2O]+ 259.097020 152.1
[M+HCOO]- 321.097961 174.0
[M+CH3COO]- 335.113611 200.5
[M+Na-2H]- 297.074426 157.0
[M]+ 276.09921142 158.7
[M]- 276.10030858 158.7
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.