CID 12833

712-07-2

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂

SMILES

CC(CC1=CNC2=C1C=C(C=C2)Cl)N

InChI

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

InChIKey

QMKOQSCXSYPIPB-UHFFFAOYSA-N

Compound name

1-(5-chloro-1H-indol-3-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 43
Patents: 208.07672 Da
Monoisotopic Mass: 1.6
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]+	209.08400	144.8
[M+Na]+	231.06594	154.9
[M-H]-	207.06944	146.7
[M+NH4]+	226.11054	165.4
[M+K]+	247.03988	148.8
[M+H-H2O]+	191.07398	139.4
[M+HCOO]-	253.07492	162.8
[M+CH3COO]-	267.09057	157.8
[M+Na-2H]-	229.05139	149.3
[M]+	208.07617	145.6
[M]-	208.07727	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe