CID 9920476

Methyl 5,6-diaminopyridine-3-carboxylate

Structural Information

Molecular Formula
C7H9N3O2
SMILES
COC(=O)C1=CC(=C(N=C1)N)N
InChI
InChI=1S/C7H9N3O2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,8H2,1H3,(H2,9,10)
InChIKey
KZFTZZIOEVUOOT-UHFFFAOYSA-N
Compound name
methyl 5,6-diaminopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

167.06947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 133.5
[M+Na]+ 190.058688 142.0
[M-H]- 166.062194 135.7
[M+NH4]+ 185.103293 152.0
[M+K]+ 206.032628 140.5
[M+H-H2O]+ 150.066730 126.8
[M+HCOO]- 212.067671 157.9
[M+CH3COO]- 226.083321 182.3
[M+Na-2H]- 188.044136 138.6
[M]+ 167.06892142 131.9
[M]- 167.07001858 131.9
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