CID 13900

1013-48-5

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂

SMILES

CC(CC1=CNC2=C1C=CC=C2Cl)N

InChI

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

InChIKey

OHEYTFPYHFDAJQ-UHFFFAOYSA-N

Compound name

1-(7-chloro-1H-indol-3-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 208.07672 Da
Monoisotopic Mass: 2.4
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]+	209.083996	144.8
[M+Na]+	231.065938	154.9
[M-H]-	207.069444	146.7
[M+NH4]+	226.110543	165.4
[M+K]+	247.039878	148.8
[M+H-H2O]+	191.073980	139.4
[M+HCOO]-	253.074921	162.8
[M+CH3COO]-	267.090571	157.8
[M+Na-2H]-	229.051386	149.3
[M]+	208.07617142	145.6
[M]-	208.07726858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe