CID 352624

2-oxo-1-pyrrolidinepropionitrile

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CC(=O)N(C1)CCC#N

InChI

InChI=1S/C7H10N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-3,5-6H2

InChIKey

DJTLPNRULHJYAC-UHFFFAOYSA-N

Compound name

3-(2-oxopyrrolidin-1-yl)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 138.07932 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]+	139.086596	125.9
[M+Na]+	161.068538	135.2
[M-H]-	137.072044	127.6
[M+NH4]+	156.113143	145.8
[M+K]+	177.042478	133.2
[M+H-H2O]+	121.076580	113.2
[M+HCOO]-	183.077521	144.6
[M+CH3COO]-	197.093171	185.4
[M+Na-2H]-	159.053986	130.3
[M]+	138.07877142	119.7
[M]-	138.07986858	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe