CID 10313195

1h-pyrrolo[2,3-b]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H5N3
SMILES
C1=CC2=C(NC=C2C#N)N=C1
InChI
InChI=1S/C8H5N3/c9-4-6-5-11-8-7(6)2-1-3-10-8/h1-3,5H,(H,10,11)
InChIKey
MUCWDACENIACBH-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

157
Patents

143.04834 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05562 130.8
[M+Na]+ 166.03756 144.2
[M+NH4]+ 161.08216 136.2
[M+K]+ 182.01150 135.9
[M-H]- 142.04106 124.8
[M+Na-2H]- 164.02301 135.4
[M]+ 143.04779 130.2
[M]- 143.04889 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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