CID 15183708

Chembl352019

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C2C=C(C=CC2=C1)/C(=C/C(=O)C(=O)O)/O
InChI
InChI=1S/C14H10O4/c15-12(8-13(16)14(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,15H,(H,17,18)/b12-8-
InChIKey
DUPQTGIRNJESKN-WQLSENKSSA-N
Compound name
(Z)-4-hydroxy-4-naphthalen-2-yl-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

242.0579 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 151.0
[M+Na]+ 265.04712 157.5
[M-H]- 241.05062 152.7
[M+NH4]+ 260.09172 167.6
[M+K]+ 281.02106 153.9
[M+H-H2O]+ 225.05516 145.0
[M+HCOO]- 287.05610 169.1
[M+CH3COO]- 301.07175 187.8
[M+Na-2H]- 263.03257 154.6
[M]+ 242.05735 149.8
[M]- 242.05845 149.8
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.