CID 6502099

59025-38-6

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

C1CCN(C1)C2=C(C=CC=N2)C#N

InChI

InChI=1S/C10H11N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-7H2

InChIKey

BHRCNCKRRFUYAS-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 173.09529 Da
Monoisotopic Mass: 1.5
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]+	174.10257	135.6
[M+Na]+	196.08451	144.8
[M-H]-	172.08801	137.9
[M+NH4]+	191.12911	152.4
[M+K]+	212.05845	140.5
[M+H-H2O]+	156.09255	120.5
[M+HCOO]-	218.09349	152.9
[M+CH3COO]-	232.10914	146.8
[M+Na-2H]-	194.06996	140.2
[M]+	173.09474	127.6
[M]-	173.09584	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe