CID 70284634

1h-pyrrolo[2,3-b]pyridine-1-ethanamine

Structural Information

Molecular Formula
C9H11N3
SMILES
C1=CC2=C(N=C1)N(C=C2)CCN
InChI
InChI=1S/C9H11N3/c10-4-7-12-6-3-8-2-1-5-11-9(8)12/h1-3,5-6H,4,7,10H2
InChIKey
APMLPUDURDVGTF-UHFFFAOYSA-N
Compound name
2-pyrrolo[2,3-b]pyridin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

161.09529 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10257 131.3
[M+Na]+ 184.08451 141.4
[M-H]- 160.08801 133.3
[M+NH4]+ 179.12911 152.2
[M+K]+ 200.05845 138.0
[M+H-H2O]+ 144.09255 124.1
[M+HCOO]- 206.09349 156.0
[M+CH3COO]- 220.10914 145.4
[M+Na-2H]- 182.06996 140.0
[M]+ 161.09474 132.0
[M]- 161.09584 132.0
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