CID 273043

13129-68-5

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CCN(CC)CN1C2=CC=CC=C2C(=O)C1=O

InChI

InChI=1S/C13H16N2O2/c1-3-14(4-2)9-15-11-8-6-5-7-10(11)12(16)13(15)17/h5-8H,3-4,9H2,1-2H3

InChIKey

QMQBCPBUOZQQAY-UHFFFAOYSA-N

Compound name

1-(diethylaminomethyl)indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 80
Patents: 232.12119 Da
Monoisotopic Mass: 1.4
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]+	233.12847	151.7
[M+Na]+	255.11041	160.2
[M-H]-	231.11391	156.4
[M+NH4]+	250.15501	171.9
[M+K]+	271.08435	157.9
[M+H-H2O]+	215.11845	144.8
[M+HCOO]-	277.11939	175.1
[M+CH3COO]-	291.13504	197.8
[M+Na-2H]-	253.09586	155.1
[M]+	232.12064	154.8
[M]-	232.12174	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe