CID 82596202

2445785-42-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.09529 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.