CID 2760921

259180-65-9

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CN(CCC1=O)CC#N

InChI

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

InChIKey

YTWDXILKGPTDNE-UHFFFAOYSA-N

Compound name

2-(4-oxopiperidin-1-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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]+	139.08660	125.1
[M+Na]+	161.06854	133.5
[M-H]-	137.07204	126.7
[M+NH4]+	156.11314	143.3
[M+K]+	177.04248	131.6
[M+H-H2O]+	121.07658	112.6
[M+HCOO]-	183.07752	141.9
[M+CH3COO]-	197.09317	185.6
[M+Na-2H]-	159.05399	130.8
[M]+	138.07877	117.0
[M]-	138.07987	117.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe