CID 23277

3-formyl-5-dimethylamino indole

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CN(C)C1=CC2=C(C=C1)NC=C2C=O

InChI

InChI=1S/C11H12N2O/c1-13(2)9-3-4-11-10(5-9)8(7-14)6-12-11/h3-7,12H,1-2H3

InChIKey

ZBXFRJNUAWOOCU-UHFFFAOYSA-N

Compound name

5-(dimethylamino)-1H-indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 188.09496 Da
Monoisotopic Mass: 1.8
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]+	189.10224	139.2
[M+Na]+	211.08418	152.1
[M+NH4]+	206.12878	147.9
[M+K]+	227.05812	147.4
[M-H]-	187.08768	141.5
[M+Na-2H]-	209.06963	145.8
[M]+	188.09441	141.6
[M]-	188.09551	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe