CID 139597467

Ns00000871

Structural Information

Molecular Formula
C11H10N2O5
SMILES
C=C(CC(=O)C(=O)O)NC1=C(C=CC=N1)C(=O)O
InChI
InChI=1S/C11H10N2O5/c1-6(5-8(14)11(17)18)13-9-7(10(15)16)3-2-4-12-9/h2-4H,1,5H2,(H,12,13)(H,15,16)(H,17,18)
InChIKey
VJVHICMCVCZUHE-UHFFFAOYSA-N
Compound name
2-[(4-carboxy-4-oxobut-1-en-2-yl)amino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.05898 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.066256 152.0
[M+Na]+ 273.048198 157.4
[M-H]- 249.051704 151.5
[M+NH4]+ 268.092803 165.3
[M+K]+ 289.022138 155.6
[M+H-H2O]+ 233.056240 145.0
[M+HCOO]- 295.057181 170.5
[M+CH3COO]- 309.072831 192.0
[M+Na-2H]- 271.033646 153.2
[M]+ 250.05843142 150.8
[M]- 250.05952858 150.8
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.