CID 599084

1,2-dimethyl-1h-indole-3-carboxaldehyde

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CC1=C(C2=CC=CC=C2N1C)C=O

InChI

InChI=1S/C11H11NO/c1-8-10(7-13)9-5-3-4-6-11(9)12(8)2/h3-7H,1-2H3

InChIKey

HYGUWHAXRMPCCP-UHFFFAOYSA-N

Compound name

1,2-dimethylindole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 173.08406 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]+	174.091336	133.6
[M+Na]+	196.073278	145.8
[M-H]-	172.076784	138.2
[M+NH4]+	191.117883	156.5
[M+K]+	212.047218	142.4
[M+H-H2O]+	156.081320	128.0
[M+HCOO]-	218.082261	158.9
[M+CH3COO]-	232.097911	181.7
[M+Na-2H]-	194.058726	140.4
[M]+	173.08351142	137.7
[M]-	173.08460858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe