CID 17804904

191993-66-5

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

CNC1=CNC2=CC=CC=C21

InChI

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

InChIKey

XORXMCSFLQONPF-UHFFFAOYSA-N

Compound name

N-methyl-1H-indol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 121
Patents: 146.0844 Da
Monoisotopic Mass: 2.6
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	126.7
[M+Na]+	169.073618	136.3
[M-H]-	145.077124	129.3
[M+NH4]+	164.118223	149.0
[M+K]+	185.047558	132.5
[M+H-H2O]+	129.081660	120.8
[M+HCOO]-	191.082601	151.7
[M+CH3COO]-	205.098251	141.1
[M+Na-2H]-	167.059066	136.0
[M]+	146.08385142	126.0
[M]-	146.08494858	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe