CID 736273

17999-71-2

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CCOC(=O)C(=CC1=CN=CC=C1)C#N
InChI
InChI=1S/C11H10N2O2/c1-2-15-11(14)10(7-12)6-9-4-3-5-13-8-9/h3-6,8H,2H2,1H3
InChIKey
BMMBXBIFKMYOLF-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-pyridin-3-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

6
Patents

202.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 145.2
[M+Na]+ 225.06345 153.7
[M-H]- 201.06695 146.5
[M+NH4]+ 220.10805 160.7
[M+K]+ 241.03739 151.0
[M+H-H2O]+ 185.07149 131.4
[M+HCOO]- 247.07243 163.1
[M+CH3COO]- 261.08808 195.8
[M+Na-2H]- 223.04890 149.4
[M]+ 202.07368 141.0
[M]- 202.07478 141.0
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

No patent data available for this compound.