CID 5062376

177966-55-1

Structural Information

Molecular Formula

C₁₄H₂₀N₃O₂

SMILES

C1CCN(C1)C(=[N+]2CCCC2)ON3C=CC=CC3=O

InChI

InChI=1S/C14H20N3O2/c18-13-7-1-2-12-17(13)19-14(15-8-3-4-9-15)16-10-5-6-11-16/h1-2,7,12H,3-6,8-11H2/q+1

InChIKey

RQVGUEISFIVEBY-UHFFFAOYSA-N

Compound name

1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 262.15555 Da
Monoisotopic Mass: 1.2
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]+	263.16283	160.1
[M+Na]+	285.14477	171.8
[M+NH4]+	280.18937	167.9
[M+K]+	301.11871	170.4
[M-H]-	261.14827	163.9
[M+Na-2H]-	283.13022	166.7
[M]+	262.15500	162.8
[M]-	262.15610	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe