CID 137945040

2287259-68-9

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₅

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3C(=O)O

InChI

InChI=1S/C14H12N2O5/c17-11-5-4-10(12(18)15-11)16-6-9-7(13(16)19)2-1-3-8(9)14(20)21/h1-3,10H,4-6H2,(H,20,21)(H,15,17,18)

InChIKey

SHMKKELLXFZKLY-UHFFFAOYSA-N

Compound name

2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 288.07462 Da
Monoisotopic Mass: -0.3
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]+	289.081896	162.3
[M+Na]+	311.063838	169.9
[M-H]-	287.067344	164.8
[M+NH4]+	306.108443	176.3
[M+K]+	327.037778	165.5
[M+H-H2O]+	271.071880	155.1
[M+HCOO]-	333.072821	176.3
[M+CH3COO]-	347.088471	196.3
[M+Na-2H]-	309.049286	161.6
[M]+	288.07407142	158.4
[M]-	288.07516858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe