CID 97016

Pyrrolidine-1-valeronitrile

Structural Information

Molecular Formula

C₉H₁₆N₂

SMILES

C1CCN(C1)CCCCC#N

InChI

InChI=1S/C9H16N2/c10-6-2-1-3-7-11-8-4-5-9-11/h1-5,7-9H2

InChIKey

VZTHTEUIDBTOLX-UHFFFAOYSA-N

Compound name

5-pyrrolidin-1-ylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 39
Patents: 152.13135 Da
Monoisotopic Mass: 1.2
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]+	153.13863	131.9
[M+Na]+	175.12057	139.5
[M-H]-	151.12407	132.9
[M+NH4]+	170.16517	151.1
[M+K]+	191.09451	137.0
[M+H-H2O]+	135.12861	118.6
[M+HCOO]-	197.12955	149.7
[M+CH3COO]-	211.14520	189.0
[M+Na-2H]-	173.10602	136.0
[M]+	152.13080	125.4
[M]-	152.13190	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe