CID 24698933

Ethyl 2-[(2-cyanoethyl)(phenyl)amino]acetate

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCOC(=O)CN(CCC#N)C1=CC=CC=C1
InChI
InChI=1S/C13H16N2O2/c1-2-17-13(16)11-15(10-6-9-14)12-7-4-3-5-8-12/h3-5,7-8H,2,6,10-11H2,1H3
InChIKey
BRRBUQQKVXOEEU-UHFFFAOYSA-N
Compound name
ethyl 2-[N-(2-cyanoethyl)anilino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 156.0
[M+Na]+ 255.11041 166.1
[M+NH4]+ 250.15501 159.8
[M+K]+ 271.08435 156.9
[M-H]- 231.11391 150.6
[M+Na-2H]- 253.09586 159.2
[M]+ 232.12064 154.9
[M]- 232.12174 154.9
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.