CID 295571

N-(dimethylaminomethyl)-phthalimide

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: 927
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	142.2
[M+Na]+	227.07909	151.6
[M-H]-	203.08259	147.4
[M+NH4]+	222.12369	163.6
[M+K]+	243.05303	149.8
[M+H-H2O]+	187.08713	135.8
[M+HCOO]-	249.08807	166.4
[M+CH3COO]-	263.10372	191.8
[M+Na-2H]-	225.06454	146.7
[M]+	204.08932	144.6
[M]-	204.09042	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe