CID 117743

26165-45-7

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

C1CCN(C1)CCC#N

InChI

InChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-3,5-7H2

InChIKey

PDVYZQGNSCSKPG-UHFFFAOYSA-N

Compound name

3-pyrrolidin-1-ylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1203
Patents: 124.10005 Da
Monoisotopic Mass: 0.4
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]+	125.10733	129.2
[M+Na]+	147.08927	138.9
[M+NH4]+	142.13387	134.5
[M+K]+	163.06321	131.2
[M-H]-	123.09277	123.0
[M+Na-2H]-	145.07472	131.7
[M]+	124.09950	127.8
[M]-	124.10060	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe