CID 84272

14227-95-3

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CCN(C1)C(=O)CC#N

InChI

InChI=1S/C7H10N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-3,5-6H2

InChIKey

VEUDVNNBYYRZBV-UHFFFAOYSA-N

Compound name

3-oxo-3-pyrrolidin-1-ylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 138.07932 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]+	139.08660	132.0
[M+Na]+	161.06854	141.1
[M+NH4]+	156.11314	136.4
[M+K]+	177.04248	134.5
[M-H]-	137.07204	124.9
[M+Na-2H]-	159.05399	133.6
[M]+	138.07877	130.2
[M]-	138.07987	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe