CID 313179

Win 35116

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

C1CC(=O)NC1C(=O)NCCCCC#N

InChI

InChI=1S/C10H15N3O2/c11-6-2-1-3-7-12-10(15)8-4-5-9(14)13-8/h8H,1-5,7H2,(H,12,15)(H,13,14)

InChIKey

VCBBVFDVLMCRIY-UHFFFAOYSA-N

Compound name

N-(4-cyanobutyl)-5-oxopyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 209.11642 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]+	210.12370	147.2
[M+Na]+	232.10564	153.9
[M-H]-	208.10914	147.1
[M+NH4]+	227.15024	163.2
[M+K]+	248.07958	151.0
[M+H-H2O]+	192.11368	133.6
[M+HCOO]-	254.11462	163.9
[M+CH3COO]-	268.13027	196.8
[M+Na-2H]-	230.09109	148.7
[M]+	209.11587	139.4
[M]-	209.11697	139.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.