CID 439951

3-indoleglycolaldehyde

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

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

InChI

InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-6,10-11,13H

InChIKey

XKZDNWMDLGQXML-UHFFFAOYSA-N

Compound name

2-hydroxy-2-(1H-indol-3-yl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 175.06332 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]+	176.07060	134.5
[M+Na]+	198.05254	143.9
[M-H]-	174.05604	135.7
[M+NH4]+	193.09714	155.0
[M+K]+	214.02648	140.0
[M+H-H2O]+	158.06058	128.9
[M+HCOO]-	220.06152	156.2
[M+CH3COO]-	234.07717	174.1
[M+Na-2H]-	196.03799	141.0
[M]+	175.06277	134.5
[M]-	175.06387	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe