CID 104572300

Ethyl 2-(3-chloropyridin-2-yl)-2-cyano-2-methylacetate

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CCOC(=O)C(C)(C#N)C1=C(C=CC=N1)Cl
InChI
InChI=1S/C11H11ClN2O2/c1-3-16-10(15)11(2,7-13)9-8(12)5-4-6-14-9/h4-6H,3H2,1-2H3
InChIKey
OKZSKNNTHDOGPE-UHFFFAOYSA-N
Compound name
ethyl 2-(3-chloropyridin-2-yl)-2-cyanopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 152.1
[M+Na]+ 261.04012 162.5
[M-H]- 237.04362 154.0
[M+NH4]+ 256.08472 167.7
[M+K]+ 277.01406 158.7
[M+H-H2O]+ 221.04816 139.7
[M+HCOO]- 283.04910 165.3
[M+CH3COO]- 297.06475 201.1
[M+Na-2H]- 259.02557 157.0
[M]+ 238.05035 150.9
[M]- 238.05145 150.9
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.