CID 73737

Pyrrolidine-1-carbonitrile

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C1CCN(C1)C#N

InChI

InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2

InChIKey

QJRYYOWARFCJQZ-UHFFFAOYSA-N

Compound name

pyrrolidine-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 1124
Patents: 96.06875 Da
Monoisotopic Mass: 1.0
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]+	97.076026	121.2
[M+Na]+	119.05797	131.3
[M+NH4]+	114.10257	126.7
[M+K]+	135.03191	124.0
[M-H]-	95.061474	115.0
[M+Na-2H]-	117.04342	124.1
[M]+	96.068201	119.9
[M]-	96.069299	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe