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

149
Patents

167.06947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 133.5
[M+Na]+ 190.05869 142.0
[M-H]- 166.06219 135.7
[M+NH4]+ 185.10329 152.0
[M+K]+ 206.03263 140.5
[M+H-H2O]+ 150.06673 126.8
[M+HCOO]- 212.06767 157.9
[M+CH3COO]- 226.08332 182.3
[M+Na-2H]- 188.04414 138.6
[M]+ 167.06892 131.9
[M]- 167.07002 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