CID 112681

63468-27-9

Structural Information

Molecular Formula
C13H16N2O5
SMILES
CCOC(=NC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)OCC
InChI
InChI=1S/C13H16N2O5/c1-3-19-12(9-13(16)20-4-2)14-10-5-7-11(8-6-10)15(17)18/h5-8H,3-4,9H2,1-2H3
InChIKey
ZJGJNPAVJZSQLA-UHFFFAOYSA-N
Compound name
ethyl 3-ethoxy-3-(4-nitrophenyl)iminopropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.10593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11321 161.7
[M+Na]+ 303.09515 172.0
[M+NH4]+ 298.13975 167.4
[M+K]+ 319.06909 169.9
[M-H]- 279.09865 163.7
[M+Na-2H]- 301.08060 166.0
[M]+ 280.10538 163.3
[M]- 280.10648 163.3
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.