CID 3066703

Brn 4481420

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CCOC(=O)/C(=C/1\CCCN1CC(=O)N)/C#N
InChI
InChI=1S/C11H15N3O3/c1-2-17-11(16)8(6-12)9-4-3-5-14(9)7-10(13)15/h2-5,7H2,1H3,(H2,13,15)/b9-8+
InChIKey
BVQOUCRIFDLDGE-CMDGGOBGSA-N
Compound name
ethyl (2E)-2-[1-(2-amino-2-oxoethyl)pyrrolidin-2-ylidene]-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11134 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 156.0
[M+Na]+ 260.10056 161.8
[M+NH4]+ 255.14516 157.4
[M+K]+ 276.07450 157.3
[M-H]- 236.10406 147.1
[M+Na-2H]- 258.08601 154.1
[M]+ 237.11079 152.8
[M]- 237.11189 152.8
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.