CID 20078140

2-(pyrrolidin-3-yl)acetonitrile hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1CNCC1CC#N

InChI

InChI=1S/C6H10N2/c7-3-1-6-2-4-8-5-6/h6,8H,1-2,4-5H2

InChIKey

ZKKCALAGXBADEJ-UHFFFAOYSA-N

Compound name

2-pyrrolidin-3-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 110.0844 Da
Monoisotopic Mass: -0.1
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	125.7
[M+Na]+	133.07362	135.1
[M+NH4]+	128.11822	130.8
[M+K]+	149.04756	127.9
[M-H]-	109.07712	119.0
[M+Na-2H]-	131.05907	127.8
[M]+	110.08385	124.0
[M]-	110.08495	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe