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]+ 288.05028 158.5
[M+Na]+ 310.03222 171.1
[M-H]- 286.03572 161.5
[M+NH4]+ 305.07682 172.3
[M+K]+ 326.00616 168.3
[M+H-H2O]+ 270.04026 151.6
[M+HCOO]- 332.04120 175.9
[M+CH3COO]- 346.05685 197.3
[M+Na-2H]- 308.01767 165.5
[M]+ 287.04245 163.9
[M]- 287.04355 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.