CID 75346

Ethyl 3-ethoxy-3-iminopropanoate

Structural Information

Molecular Formula
C7H13NO3
SMILES
CCOC(=N)CC(=O)OCC
InChI
InChI=1S/C7H13NO3/c1-3-10-6(8)5-7(9)11-4-2/h8H,3-5H2,1-2H3
InChIKey
ZAKAONRTRWRIJT-UHFFFAOYSA-N
Compound name
ethyl 3-ethoxy-3-iminopropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1293
Patents

159.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 134.6
[M+Na]+ 182.07876 140.8
[M-H]- 158.08226 134.9
[M+NH4]+ 177.12336 155.2
[M+K]+ 198.05270 141.4
[M+H-H2O]+ 142.08680 129.4
[M+HCOO]- 204.08774 158.3
[M+CH3COO]- 218.10339 179.5
[M+Na-2H]- 180.06421 138.9
[M]+ 159.08899 137.0
[M]- 159.09009 137.0
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