CID 3071550

Monosodium 6-amino-5-(aminocarbonyl)-2-methyl-3-pyridinecarboxylate

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CC1=NC(=C(C=C1C(=O)O)C(=O)N)N
InChI
InChI=1S/C8H9N3O3/c1-3-4(8(13)14)2-5(7(10)12)6(9)11-3/h2H,1H3,(H2,9,11)(H2,10,12)(H,13,14)
InChIKey
CKDKZUBOYNWFEE-UHFFFAOYSA-N
Compound name
6-amino-5-carbamoyl-2-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06439 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 140.3
[M+Na]+ 218.053608 148.7
[M-H]- 194.057114 141.4
[M+NH4]+ 213.098213 156.8
[M+K]+ 234.027548 146.7
[M+H-H2O]+ 178.061650 133.8
[M+HCOO]- 240.062591 162.2
[M+CH3COO]- 254.078241 187.3
[M+Na-2H]- 216.039056 142.4
[M]+ 195.06384142 137.7
[M]- 195.06493858 137.7
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.