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 155.5
[M+Na]+ 260.10056 161.8
[M-H]- 236.10406 156.1
[M+NH4]+ 255.14516 170.6
[M+K]+ 276.07450 160.0
[M+H-H2O]+ 220.10860 141.7
[M+HCOO]- 282.10954 171.1
[M+CH3COO]- 296.12519 203.4
[M+Na-2H]- 258.08601 153.7
[M]+ 237.11079 148.1
[M]- 237.11189 148.1
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.