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]+ 203.081506 145.2
[M+Na]+ 225.063448 153.7
[M-H]- 201.066954 146.5
[M+NH4]+ 220.108053 160.7
[M+K]+ 241.037388 151.0
[M+H-H2O]+ 185.071490 131.4
[M+HCOO]- 247.072431 163.1
[M+CH3COO]- 261.088081 195.8
[M+Na-2H]- 223.048896 149.4
[M]+ 202.07368142 141.0
[M]- 202.07477858 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.