CID 1715183

Ethyl (ethoxymethylene)cyanoacetate

Structural Information

Molecular Formula
C8H11NO3
SMILES
CCO/C=C(\C#N)/C(=O)OCC
InChI
InChI=1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6+
InChIKey
KTMGNAIGXYODKQ-VOTSOKGWSA-N
Compound name
ethyl (E)-2-cyano-3-ethoxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2547
Patents

169.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 136.4
[M+Na]+ 192.06312 145.1
[M+NH4]+ 187.10772 139.3
[M+K]+ 208.03706 137.9
[M-H]- 168.06662 127.4
[M+Na-2H]- 190.04857 136.5
[M]+ 169.07335 133.9
[M]- 169.07445 133.9
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