CID 12747366

75358-90-6

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CCOC(=O)C1=C(N=CC=C1)C#N
InChI
InChI=1S/C9H8N2O2/c1-2-13-9(12)7-4-3-5-11-8(7)6-10/h3-5H,2H2,1H3
InChIKey
KOAWFXMHARNHJY-UHFFFAOYSA-N
Compound name
ethyl 2-cyanopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

176.05858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 135.2
[M+Na]+ 199.047798 145.2
[M-H]- 175.051304 137.1
[M+NH4]+ 194.092403 152.1
[M+K]+ 215.021738 143.3
[M+H-H2O]+ 159.055840 122.0
[M+HCOO]- 221.056781 154.5
[M+CH3COO]- 235.072431 192.0
[M+Na-2H]- 197.033246 141.1
[M]+ 176.05803142 132.0
[M]- 176.05912858 132.0
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