CID 13050105

Ethyl 2-(3-cyanopyridin-2-yl)acetate

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CCOC(=O)CC1=C(C=CC=N1)C#N
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)6-9-8(7-11)4-3-5-12-9/h3-5H,2,6H2,1H3
InChIKey
TXCFZDPPFKCWNV-UHFFFAOYSA-N
Compound name
ethyl 2-(3-cyano-2-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

190.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 139.2
[M+Na]+ 213.063448 148.9
[M-H]- 189.066954 141.0
[M+NH4]+ 208.108053 155.6
[M+K]+ 229.037388 146.7
[M+H-H2O]+ 173.071490 125.8
[M+HCOO]- 235.072431 158.2
[M+CH3COO]- 249.088081 194.7
[M+Na-2H]- 211.048896 144.6
[M]+ 190.07368142 136.3
[M]- 190.07477858 136.3
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