CID 130798465

2551116-64-2

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CCOC(=O)C1(CCNC1)C#N

InChI

InChI=1S/C8H12N2O2/c1-2-12-7(11)8(5-9)3-4-10-6-8/h10H,2-4,6H2,1H3

InChIKey

QAUMPVFWTOKLKK-UHFFFAOYSA-N

Compound name

ethyl 3-cyanopyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.08987 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.09715	136.8
[M+Na]+	191.07909	144.8
[M+NH4]+	186.12369	141.5
[M+K]+	207.05303	137.4
[M-H]-	167.08259	128.7
[M+Na-2H]-	189.06454	138.7
[M]+	168.08932	134.5
[M]-	168.09042	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.