CID 466874

Methyl 3-acetyl-2-cyano-2h-pyridine-1-carboxylate

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CC(=O)C1=CC=CN(C1C#N)C(=O)OC
InChI
InChI=1S/C10H10N2O3/c1-7(13)8-4-3-5-12(9(8)6-11)10(14)15-2/h3-5,9H,1-2H3
InChIKey
LBXUHGDIMPPANL-UHFFFAOYSA-N
Compound name
methyl 3-acetyl-2-cyano-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 142.2
[M+Na]+ 229.058358 151.7
[M-H]- 205.061864 144.3
[M+NH4]+ 224.102963 158.1
[M+K]+ 245.032298 150.3
[M+H-H2O]+ 189.066400 129.2
[M+HCOO]- 251.067341 159.4
[M+CH3COO]- 265.082991 197.4
[M+Na-2H]- 227.043806 145.1
[M]+ 206.06859142 138.5
[M]- 206.06968858 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.