CID 2842210

Ethyl 2-cyano-2-(pyridin-2-yl)acetate

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CCOC(=O)C(C#N)C1=CC=CC=N1
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)8(7-11)9-5-3-4-6-12-9/h3-6,8H,2H2,1H3
InChIKey
LWZBDTQYCJMNPJ-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-pyridin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

190.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 142.7
[M+Na]+ 213.06345 153.8
[M+NH4]+ 208.10805 146.4
[M+K]+ 229.03739 145.5
[M-H]- 189.06695 136.0
[M+Na-2H]- 211.04890 146.1
[M]+ 190.07368 141.4
[M]- 190.07478 141.4
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

patents stripe