CID 24759733

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

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CC(CNC1)C2=CNC3=C2C=CC=N3
InChI
InChI=1S/C12H15N3/c1-3-9(7-13-5-1)11-8-15-12-10(11)4-2-6-14-12/h2,4,6,8-9,13H,1,3,5,7H2,(H,14,15)
InChIKey
NDEZQKHXMUBWSL-UHFFFAOYSA-N
Compound name
3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

201.1266 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 144.4
[M+Na]+ 224.11582 151.4
[M-H]- 200.11932 144.9
[M+NH4]+ 219.16042 160.6
[M+K]+ 240.08976 145.5
[M+H-H2O]+ 184.12386 135.7
[M+HCOO]- 246.12480 160.3
[M+CH3COO]- 260.14045 155.1
[M+Na-2H]- 222.10127 150.1
[M]+ 201.12605 137.8
[M]- 201.12715 137.8
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