CID 66832062

1258504-40-3

Structural Information

Molecular Formula

C₉H₁₀ClN₃

SMILES

C1=C(C=NC2=C1C(=CN2)CCN)Cl

InChI

InChI=1S/C9H10ClN3/c10-7-3-8-6(1-2-11)4-12-9(8)13-5-7/h3-5H,1-2,11H2,(H,12,13)

InChIKey

SIWBAYOSUZHKQX-UHFFFAOYSA-N

Compound name

2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 195.05632 Da
Monoisotopic Mass: 1.3
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]+	196.06360	139.1
[M+Na]+	218.04554	150.4
[M-H]-	194.04904	139.7
[M+NH4]+	213.09014	158.9
[M+K]+	234.01948	144.2
[M+H-H2O]+	178.05358	132.8
[M+HCOO]-	240.05452	157.4
[M+CH3COO]-	254.07017	152.3
[M+Na-2H]-	216.03099	145.9
[M]+	195.05577	140.2
[M]-	195.05687	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe