CID 51816

73541-93-2

Structural Information

Molecular Formula

C₈H₉N₃

SMILES

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

InChI

InChI=1S/C8H9N3/c9-5-8(6-10)7-11-3-1-2-4-11/h7H,1-4H2

InChIKey

PEKZRDSDXUPZQB-UHFFFAOYSA-N

Compound name

2-(pyrrolidin-1-ylmethylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 147.07965 Da
Monoisotopic Mass: 0.8
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]+	148.08693	162.7
[M+Na]+	170.06887	169.5
[M+NH4]+	165.11347	163.2
[M+K]+	186.04281	160.4
[M-H]-	146.07237	151.8
[M+Na-2H]-	168.05432	160.6
[M]+	147.07910	159.1
[M]-	147.08020	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe