CID 12146849

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

Structural Information

Molecular Formula
C9H11N3
SMILES
C1=CC2=C(C(=CN2)CCN)N=C1
InChI
InChI=1S/C9H11N3/c10-4-3-7-6-12-8-2-1-5-11-9(7)8/h1-2,5-6,12H,3-4,10H2
InChIKey
USCHHUMFWCCWJD-UHFFFAOYSA-N
Compound name
2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

161.09529 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10257 131.7
[M+Na]+ 184.08451 141.3
[M-H]- 160.08801 132.3
[M+NH4]+ 179.12911 151.8
[M+K]+ 200.05845 137.0
[M+H-H2O]+ 144.09255 124.7
[M+HCOO]- 206.09349 154.8
[M+CH3COO]- 220.10914 145.0
[M+Na-2H]- 182.06996 139.9
[M]+ 161.09474 130.5
[M]- 161.09584 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

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