CID 295571

51822-55-0

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CN(C)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C11H12N2O2/c1-12(2)7-13-10(14)8-5-3-4-6-9(8)11(13)15/h3-6H,7H2,1-2H3

InChIKey

RZDNXBOXSFUJAK-UHFFFAOYSA-N

Compound name

2-[(dimethylamino)methyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 815
Patents: 204.08987 Da
Monoisotopic Mass: 1.6
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	143.5
[M+Na]+	227.07909	155.1
[M+NH4]+	222.12369	151.6
[M+K]+	243.05303	151.1
[M-H]-	203.08259	145.3
[M+Na-2H]-	225.06454	148.2
[M]+	204.08932	145.4
[M]-	204.09042	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe