CID 156249214

2-(2,6-dioxopiperidin-3-yl)-3-oxoisoindoline-5-carbonitrile

Structural Information

Molecular Formula

C₁₄H₁₁N₃O₃

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)C#N

InChI

InChI=1S/C14H11N3O3/c15-6-8-1-2-9-7-17(14(20)10(9)5-8)11-3-4-12(18)16-13(11)19/h1-2,5,11H,3-4,7H2,(H,16,18,19)

InChIKey

AABCQCXLKZIUFW-UHFFFAOYSA-N

Compound name

2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 269.08005 Da
Monoisotopic Mass: -0.1
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]+	270.087326	160.6
[M+Na]+	292.069268	171.2
[M-H]-	268.072774	162.9
[M+NH4]+	287.113873	174.5
[M+K]+	308.043208	163.8
[M+H-H2O]+	252.077310	146.3
[M+HCOO]-	314.078251	173.5
[M+CH3COO]-	328.093901	169.9
[M+Na-2H]-	290.054716	160.9
[M]+	269.07950142	151.8
[M]-	269.08059858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe