CID 199653

4667-76-9

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

C1CCN(CC1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H16N2O2/c17-13-11-6-2-3-7-12(11)14(18)16(13)10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2

InChIKey

ORXFTDOQEHBVCY-UHFFFAOYSA-N

Compound name

2-(piperidin-1-ylmethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 244.12119 Da
Monoisotopic Mass: 2.5
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]+	245.12847	156.8
[M+Na]+	267.11041	168.8
[M+NH4]+	262.15501	164.9
[M+K]+	283.08435	163.6
[M-H]-	243.11391	159.4
[M+Na-2H]-	265.09586	161.7
[M]+	244.12064	159.0
[M]-	244.12174	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe