CID 16728047

Chembl226484

Structural Information

Molecular Formula
C15H12O4
SMILES
CC1=CC2=C(C=C1)C=C(C=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C15H12O4/c1-9-2-3-11-7-12(5-4-10(11)6-9)13(16)8-14(17)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKey
LEBHIBQBVRLSQP-UHFFFAOYSA-N
Compound name
4-(6-methylnaphthalen-2-yl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 154.2
[M+Na]+ 279.06277 161.5
[M-H]- 255.06627 157.5
[M+NH4]+ 274.10737 171.2
[M+K]+ 295.03671 158.7
[M+H-H2O]+ 239.07081 148.0
[M+HCOO]- 301.07175 173.5
[M+CH3COO]- 315.08740 195.0
[M+Na-2H]- 277.04822 157.2
[M]+ 256.07300 155.7
[M]- 256.07410 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.