CID 5388853

Nsc639675

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C/C=N/N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C10H8N2O2/c1-2-11-12-9(13)7-5-3-4-6-8(7)10(12)14/h2-6H,1H3/b11-2+

InChIKey

NSIJWEIEGUCALU-BIIKFXOESA-N

Compound name

2-[(E)-ethylideneamino]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 188.05858 Da
Monoisotopic Mass: 1.3
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]+	189.06586	136.1
[M+Na]+	211.04780	146.6
[M-H]-	187.05130	141.4
[M+NH4]+	206.09240	158.2
[M+K]+	227.02174	144.0
[M+H-H2O]+	171.05584	129.8
[M+HCOO]-	233.05678	161.9
[M+CH3COO]-	247.07243	186.4
[M+Na-2H]-	209.03325	142.4
[M]+	188.05803	138.0
[M]-	188.05913	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe