CID 23422804

89977-04-8

Structural Information

Molecular Formula
C8H8N2O4
SMILES
CNC1=CC(=NC(=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C8H8N2O4/c1-9-4-2-5(7(11)12)10-6(3-4)8(13)14/h2-3H,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKey
PCDWMZCDMDKBCH-UHFFFAOYSA-N
Compound name
4-(methylamino)pyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

196.0484 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 139.7
[M+Na]+ 219.03762 149.4
[M+NH4]+ 214.08222 144.8
[M+K]+ 235.01156 146.9
[M-H]- 195.04112 138.5
[M+Na-2H]- 217.02307 143.4
[M]+ 196.04785 140.2
[M]- 196.04895 140.2
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

patents stripe