CID 84762537

1782840-52-1

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CN1CC(CC1=O)CC#N

InChI

InChI=1S/C7H10N2O/c1-9-5-6(2-3-8)4-7(9)10/h6H,2,4-5H2,1H3

InChIKey

KGLKAKINVYANGE-UHFFFAOYSA-N

Compound name

2-(1-methyl-5-oxopyrrolidin-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.07932 Da
Monoisotopic Mass: -0.6
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	125.4
[M+Na]+	161.06854	135.5
[M-H]-	137.07204	127.4
[M+NH4]+	156.11314	145.5
[M+K]+	177.04248	133.5
[M+H-H2O]+	121.07658	113.0
[M+HCOO]-	183.07752	144.1
[M+CH3COO]-	197.09317	186.4
[M+Na-2H]-	159.05399	129.2
[M]+	138.07877	119.5
[M]-	138.07987	119.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.