CID 55283098

1-(1h-indol-6-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CC(C1=CC2=C(C=C1)C=CN2)N

InChI

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

InChIKey

AXEXHSYYXWPIOZ-UHFFFAOYSA-N

Compound name

1-(1H-indol-6-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 160.10005 Da
Monoisotopic Mass: 2.2
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]+	161.10733	132.7
[M+Na]+	183.08927	141.6
[M-H]-	159.09277	134.8
[M+NH4]+	178.13387	154.2
[M+K]+	199.06321	137.7
[M+H-H2O]+	143.09731	126.7
[M+HCOO]-	205.09825	155.8
[M+CH3COO]-	219.11390	146.3
[M+Na-2H]-	181.07472	139.2
[M]+	160.09950	130.8
[M]-	160.10060	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe