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

21
Patents

153.05383 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 129.3
[M+Na]+ 176.04305 137.7
[M-H]- 152.04655 130.2
[M+NH4]+ 171.08765 147.4
[M+K]+ 192.01699 135.6
[M+H-H2O]+ 136.05109 122.9
[M+HCOO]- 198.05203 152.4
[M+CH3COO]- 212.06768 177.5
[M+Na-2H]- 174.02850 134.4
[M]+ 153.05328 125.5
[M]- 153.05438 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