CID 3069969

85588-50-7

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CN(C)N1CC2=CC=CC=C2CC1=O

InChI

InChI=1S/C11H14N2O/c1-12(2)13-8-10-6-4-3-5-9(10)7-11(13)14/h3-6H,7-8H2,1-2H3

InChIKey

GSFRCEQRUBJNBC-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-1,4-dihydroisoquinolin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.11061 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]+	191.11789	140.0
[M+Na]+	213.09983	147.3
[M-H]-	189.10333	144.3
[M+NH4]+	208.14443	159.9
[M+K]+	229.07377	145.7
[M+H-H2O]+	173.10787	132.8
[M+HCOO]-	235.10881	161.5
[M+CH3COO]-	249.12446	189.8
[M+Na-2H]-	211.08528	146.7
[M]+	190.11006	139.0
[M]-	190.11116	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe