CID 22181493

Pyrrolidine-3-carbonitrile

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C1CNCC1C#N

InChI

InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h5,7H,1-2,4H2

InChIKey

DATJETPTDKFEEF-UHFFFAOYSA-N

Compound name

pyrrolidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1233
Patents: 96.06875 Da
Monoisotopic Mass: -0.3
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	121.7
[M+Na]+	119.05797	131.2
[M+NH4]+	114.10257	126.9
[M+K]+	135.03191	124.3
[M-H]-	95.061474	115.0
[M+Na-2H]-	117.04342	124.0
[M]+	96.068201	120.1
[M]-	96.069299	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe