CID 9860695

7,8-dihydroxy-3-methyl-10-oxo-10h-chromeno[3,2-c]pyridine-9-carboxylic acid

Structural Information

Molecular Formula
C14H9NO6
SMILES
CC1=CC2=C(C=N1)C(=O)C3=C(O2)C=C(C(=C3C(=O)O)O)O
InChI
InChI=1S/C14H9NO6/c1-5-2-8-6(4-15-5)12(17)10-9(21-8)3-7(16)13(18)11(10)14(19)20/h2-4,16,18H,1H3,(H,19,20)
InChIKey
JQSDDXAUCUZICT-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.043 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.050276 158.5
[M+Na]+ 310.032218 171.1
[M-H]- 286.035724 161.5
[M+NH4]+ 305.076823 172.3
[M+K]+ 326.006158 168.3
[M+H-H2O]+ 270.040260 151.6
[M+HCOO]- 332.041201 175.9
[M+CH3COO]- 346.056851 197.3
[M+Na-2H]- 308.017666 165.5
[M]+ 287.04245142 163.9
[M]- 287.04354858 163.9
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.