CID 482834

1-(2-hydroxyethoxymethyl)indole-3-carbaldehyde

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

C1=CC=C2C(=C1)C(=CN2COCCO)C=O

InChI

InChI=1S/C12H13NO3/c14-5-6-16-9-13-7-10(8-15)11-3-1-2-4-12(11)13/h1-4,7-8,14H,5-6,9H2

InChIKey

UGMQHVBTTMOZRM-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethoxymethyl)indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 219.08954 Da
Monoisotopic Mass: 0.7
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]+	220.096816	145.6
[M+Na]+	242.078758	155.6
[M-H]-	218.082264	148.1
[M+NH4]+	237.123363	165.3
[M+K]+	258.052698	152.2
[M+H-H2O]+	202.086800	139.2
[M+HCOO]-	264.087741	169.3
[M+CH3COO]-	278.103391	185.0
[M+Na-2H]-	240.064206	152.1
[M]+	219.08899142	150.6
[M]-	219.09008858	150.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.