CID 101195

42472-93-5

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₄

SMILES

CN1C(=O)CCC(C1=O)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H12N2O4/c1-15-11(17)7-6-10(14(15)20)16-12(18)8-4-2-3-5-9(8)13(16)19/h2-5,10H,6-7H2,1H3

InChIKey

IYYPLFUVXTVBLD-UHFFFAOYSA-N

Compound name

2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 137
Patents: 272.0797 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]+	273.08698	158.6
[M+Na]+	295.06892	168.7
[M-H]-	271.07242	164.2
[M+NH4]+	290.11352	175.3
[M+K]+	311.04286	164.6
[M+H-H2O]+	255.07696	151.1
[M+HCOO]-	317.07790	176.6
[M+CH3COO]-	331.09355	198.9
[M+Na-2H]-	293.05437	159.1
[M]+	272.07915	157.9
[M]-	272.08025	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe