CID 23511414

110460-11-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CNCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C11H12N2O2/c1-12-6-7-13-10(14)8-4-2-3-5-9(8)11(13)15/h2-5,12H,6-7H2,1H3

InChIKey

OTTCLTLOYAZCAZ-UHFFFAOYSA-N

Compound name

2-[2-(methylamino)ethyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 204.08987 Da
Monoisotopic Mass: 1.1
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]+	205.09715	144.0
[M+Na]+	227.07909	155.3
[M+NH4]+	222.12369	151.8
[M+K]+	243.05303	150.8
[M-H]-	203.08259	145.4
[M+Na-2H]-	225.06454	148.3
[M]+	204.08932	145.7
[M]-	204.09042	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe