CID 5488197

2-{1h-pyrrolo[2,3-b]pyridin-3-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C9H11N3
SMILES
C1=CC2=C(NC=C2CCN)N=C1
InChI
InChI=1S/C9H11N3/c10-4-3-7-6-12-9-8(7)2-1-5-11-9/h1-2,5-6H,3-4,10H2,(H,11,12)
InChIKey
CSBXAJWXUYDUTM-UHFFFAOYSA-N
Compound name
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

148
Patents

161.09529 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 131.7
[M+Na]+ 184.084508 141.3
[M-H]- 160.088014 132.3
[M+NH4]+ 179.129113 151.8
[M+K]+ 200.058448 137.0
[M+H-H2O]+ 144.092550 124.7
[M+HCOO]- 206.093491 154.8
[M+CH3COO]- 220.109141 145.0
[M+Na-2H]- 182.069956 139.9
[M]+ 161.09474142 130.5
[M]- 161.09583858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe