CID 129916471

Methyl 3-amino-6-cyanopyridine-2-carboxylate

Structural Information

Molecular Formula
C8H7N3O2
SMILES
COC(=O)C1=C(C=CC(=N1)C#N)N
InChI
InChI=1S/C8H7N3O2/c1-13-8(12)7-6(10)3-2-5(4-9)11-7/h2-3H,10H2,1H3
InChIKey
YDSLSKAFSDCEFX-UHFFFAOYSA-N
Compound name
methyl 3-amino-6-cyanopyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 138.4
[M+Na]+ 200.04305 149.4
[M+NH4]+ 195.08765 141.9
[M+K]+ 216.01699 141.7
[M-H]- 176.04655 132.1
[M+Na-2H]- 198.02850 141.4
[M]+ 177.05328 137.1
[M]- 177.05438 137.1
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.