CID 14822063

281658-42-2

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CNCC=C1C2=CNC3=C2C=CC=N3
InChI
InChI=1S/C12H13N3/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9/h1-3,5,8,13H,4,6-7H2,(H,14,15)
InChIKey
OQDGBIQQFFTLKL-UHFFFAOYSA-N
Compound name
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

199.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 143.9
[M+Na]+ 222.10017 157.9
[M+NH4]+ 217.14477 152.6
[M+K]+ 238.07411 152.2
[M-H]- 198.10367 146.5
[M+Na-2H]- 220.08562 151.9
[M]+ 199.11040 146.5
[M]- 199.11150 146.5
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