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]+ 277.10704 157.1
[M+Na]+ 299.08898 166.9
[M-H]- 275.09248 159.9
[M+NH4]+ 294.13358 174.0
[M+K]+ 315.06292 163.6
[M+H-H2O]+ 259.09702 152.1
[M+HCOO]- 321.09796 174.0
[M+CH3COO]- 335.11361 200.5
[M+Na-2H]- 297.07443 157.0
[M]+ 276.09921 158.7
[M]- 276.10031 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.