CID 15955891

(z)-4-(6,7-dihydroxy-2-naphthyl)-2-hydroxy-4-oxo-but-2-enoic acid

Structural Information

Molecular Formula
C14H10O6
SMILES
C1=CC(=CC2=CC(=C(C=C21)O)O)/C(=C/C(=O)C(=O)O)/O
InChI
InChI=1S/C14H10O6/c15-10(6-13(18)14(19)20)8-2-1-7-4-11(16)12(17)5-9(7)3-8/h1-6,15-17H,(H,19,20)/b10-6-
InChIKey
KOZOWSWQDWKYDO-POHAHGRESA-N
Compound name
(Z)-4-(6,7-dihydroxynaphthalen-2-yl)-4-hydroxy-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.04773 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05501 156.3
[M+Na]+ 297.03695 163.3
[M-H]- 273.04045 155.9
[M+NH4]+ 292.08155 170.5
[M+K]+ 313.01089 159.8
[M+H-H2O]+ 257.04499 150.8
[M+HCOO]- 319.04593 171.6
[M+CH3COO]- 333.06158 190.5
[M+Na-2H]- 295.02240 157.8
[M]+ 274.04718 155.2
[M]- 274.04828 155.2
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.