CID 5371794

1-({1h-pyrrolo[2,3-b]pyridin-3-yl}methyl)piperidine

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CCN(CC1)CC2=CNC3=C2C=CC=N3
InChI
InChI=1S/C13H17N3/c1-2-7-16(8-3-1)10-11-9-15-13-12(11)5-4-6-14-13/h4-6,9H,1-3,7-8,10H2,(H,14,15)
InChIKey
MGPOWJRFLZBWAU-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.14224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 148.7
[M+Na]+ 238.131458 155.6
[M-H]- 214.134964 150.3
[M+NH4]+ 233.176063 165.0
[M+K]+ 254.105398 150.3
[M+H-H2O]+ 198.139500 139.4
[M+HCOO]- 260.140441 165.7
[M+CH3COO]- 274.156091 159.5
[M+Na-2H]- 236.116906 154.2
[M]+ 215.14169142 144.2
[M]- 215.14278858 144.2
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