CID 22662996

1909324-63-5

Structural Information

Molecular Formula
C9H11N3
SMILES
C1=CN=CC2=C1C(=CN2)CCN
InChI
InChI=1S/C9H11N3/c10-3-1-7-5-12-9-6-11-4-2-8(7)9/h2,4-6,12H,1,3,10H2
InChIKey
LIAWRBWIQJKHNG-UHFFFAOYSA-N
Compound name
2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

161.09529 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe