CID 13284402

3-indolylglyoxal

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)C=O

InChI

InChI=1S/C10H7NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-6,11H

InChIKey

KPDBTUMJILFRNQ-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-yl)-2-oxoacetaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 76
Patents: 173.04768 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]+	174.05496	134.0
[M+Na]+	196.03690	147.0
[M+NH4]+	191.08150	142.1
[M+K]+	212.01084	142.7
[M-H]-	172.04040	134.7
[M+Na-2H]-	194.02235	140.2
[M]+	173.04713	135.9
[M]-	173.04823	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe