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]+ 216.14952 148.7
[M+Na]+ 238.13146 155.6
[M-H]- 214.13496 150.3
[M+NH4]+ 233.17606 165.0
[M+K]+ 254.10540 150.3
[M+H-H2O]+ 198.13950 139.4
[M+HCOO]- 260.14044 165.7
[M+CH3COO]- 274.15609 159.5
[M+Na-2H]- 236.11691 154.2
[M]+ 215.14169 144.2
[M]- 215.14279 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