CID 142486487

Schembl22048688

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

C1CN(CC1N)C#N

InChI

InChI=1S/C5H9N3/c6-4-8-2-1-5(7)3-8/h5H,1-3,7H2

InChIKey

VASXPKVYBSLRAB-UHFFFAOYSA-N

Compound name

3-aminopyrrolidine-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 111.07965 Da
Monoisotopic Mass: -0.2
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]+	112.08693	124.9
[M+Na]+	134.06887	133.8
[M+NH4]+	129.11347	129.8
[M+K]+	150.04281	127.4
[M-H]-	110.07237	118.8
[M+Na-2H]-	132.05432	126.9
[M]+	111.07910	123.3
[M]-	111.08020	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe