CID 2733992

5-amino-2-methylindole

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

CC1=CC2=C(N1)C=CC(=C2)N

InChI

InChI=1S/C9H10N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,10H2,1H3

InChIKey

JQULCCZIXYRBSE-UHFFFAOYSA-N

Compound name

2-methyl-1H-indol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 811
Patents: 146.0844 Da
Monoisotopic Mass: 1.4
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]+	147.091676	127.4
[M+Na]+	169.073618	138.0
[M-H]-	145.077124	129.9
[M+NH4]+	164.118223	149.8
[M+K]+	185.047558	133.8
[M+H-H2O]+	129.081660	121.8
[M+HCOO]-	191.082601	151.8
[M+CH3COO]-	205.098251	141.9
[M+Na-2H]-	167.059066	134.9
[M]+	146.08385142	126.1
[M]-	146.08494858	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe