CID 151295

55747-72-3

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CCN

InChI

InChI=1S/C10H11N3O2/c11-4-3-7-6-12-10-2-1-8(13(14)15)5-9(7)10/h1-2,5-6,12H,3-4,11H2

InChIKey

GPZRBKWRRKBOAC-UHFFFAOYSA-N

Compound name

2-(5-nitro-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 205.08513 Da
Monoisotopic Mass: 0.4
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]+	206.09241	140.0
[M+Na]+	228.07435	152.5
[M+NH4]+	223.11895	148.0
[M+K]+	244.04829	150.9
[M-H]-	204.07785	143.0
[M+Na-2H]-	226.05980	145.5
[M]+	205.08458	142.3
[M]-	205.08568	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe