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: 74
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]+	205.097146	142.4
[M+Na]+	227.079088	151.6
[M-H]-	203.082594	146.0
[M+NH4]+	222.123693	163.1
[M+K]+	243.053028	148.5
[M+H-H2O]+	187.087130	136.0
[M+HCOO]-	249.088071	166.0
[M+CH3COO]-	263.103721	188.4
[M+Na-2H]-	225.064536	147.6
[M]+	204.08932142	143.5
[M]-	204.09041858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe