CID 3015701

1158290-92-6

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CC(C1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C10H12N2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-7,12H,11H2,1H3

InChIKey

VBNMNLNTLNOVIT-UHFFFAOYSA-N

Compound name

1-(1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 107
Patents: 160.10005 Da
Monoisotopic Mass: 1.5
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]+	161.107326	132.7
[M+Na]+	183.089268	141.6
[M-H]-	159.092774	134.8
[M+NH4]+	178.133873	154.2
[M+K]+	199.063208	137.7
[M+H-H2O]+	143.097310	126.7
[M+HCOO]-	205.098251	155.8
[M+CH3COO]-	219.113901	146.3
[M+Na-2H]-	181.074716	139.2
[M]+	160.09950142	130.8
[M]-	160.10059858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe