CID 236987

2,6-diaminopyridine-4-carboxylic acid

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1=C(C=C(N=C1N)N)C(=O)O
InChI
InChI=1S/C6H7N3O2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)(H4,7,8,9)
InChIKey
NSAVBLWKSBOTSK-UHFFFAOYSA-N
Compound name
2,6-diaminopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

153.05383 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 129.3
[M+Na]+ 176.043048 137.7
[M-H]- 152.046554 130.2
[M+NH4]+ 171.087653 147.4
[M+K]+ 192.016988 135.6
[M+H-H2O]+ 136.051090 122.9
[M+HCOO]- 198.052031 152.4
[M+CH3COO]- 212.067681 177.5
[M+Na-2H]- 174.028496 134.4
[M]+ 153.05328142 125.5
[M]- 153.05437858 125.5
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

patents stripe