CID 22662986

868173-88-0

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

C1=CN=CC2=C1NC=C2CCN

InChI

InChI=1S/C9H11N3/c10-3-1-7-5-12-9-2-4-11-6-8(7)9/h2,4-6,12H,1,3,10H2

InChIKey

MPGWXKYGIDJLQT-UHFFFAOYSA-N

Compound name

2-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 161.09529 Da
Monoisotopic Mass: 0.3
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]+	162.10257	131.9
[M+Na]+	184.08451	144.5
[M+NH4]+	179.12911	140.5
[M+K]+	200.05845	139.7
[M-H]-	160.08801	133.6
[M+Na-2H]-	182.06996	138.7
[M]+	161.09474	134.0
[M]-	161.09584	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe