CID 6487610

682802-84-2

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂

SMILES

CN1C=C(C2=C1C=CC(=C2)Cl)CCN

InChI

InChI=1S/C11H13ClN2/c1-14-7-8(4-5-13)10-6-9(12)2-3-11(10)14/h2-3,6-7H,4-5,13H2,1H3

InChIKey

UUCUKWNPBAJYFA-UHFFFAOYSA-N

Compound name

2-(5-chloro-1-methylindol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 208.07672 Da
Monoisotopic Mass: 1.9
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]+	209.083996	144.4
[M+Na]+	231.065938	156.1
[M-H]-	207.069444	147.9
[M+NH4]+	226.110543	166.1
[M+K]+	247.039878	150.4
[M+H-H2O]+	191.073980	138.8
[M+HCOO]-	253.074921	164.8
[M+CH3COO]-	267.090571	158.4
[M+Na-2H]-	229.051386	149.7
[M]+	208.07617142	147.9
[M]-	208.07726858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe