CID 135298

69352-90-5

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₄

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C13H14N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-2,7-9H,3-6H2,(H,14,16,17)

InChIKey

UQQAXRSOQDEDNI-UHFFFAOYSA-N

Compound name

2-(2,6-dioxopiperidin-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 262.09537 Da
Monoisotopic Mass: -0.4
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]+	263.102646	158.3
[M+Na]+	285.084588	165.4
[M-H]-	261.088094	161.4
[M+NH4]+	280.129193	174.2
[M+K]+	301.058528	161.1
[M+H-H2O]+	245.092630	151.0
[M+HCOO]-	307.093571	172.1
[M+CH3COO]-	321.109221	193.1
[M+Na-2H]-	283.070036	157.5
[M]+	262.09482142	152.1
[M]-	262.09591858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe