CID 95270

29134-29-0

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1CCN(C1)CC#N

InChI

InChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-6H2

InChIKey

NPRYXVXVLCYBNS-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1164
Patents: 110.0844 Da
Monoisotopic Mass: 0.5
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]+	111.09168	125.2
[M+Na]+	133.07362	135.1
[M+NH4]+	128.11822	130.6
[M+K]+	149.04756	127.6
[M-H]-	109.07712	119.0
[M+Na-2H]-	131.05907	127.9
[M]+	110.08385	123.8
[M]-	110.08495	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe