CID 10103281

1h-pyrrolo[3,2-b]pyridine-5-carbonitrile

Structural Information

Molecular Formula
C8H5N3
SMILES
C1=CC2=C(C=CN2)N=C1C#N
InChI
InChI=1S/C8H5N3/c9-5-6-1-2-7-8(11-6)3-4-10-7/h1-4,10H
InChIKey
YSSSUMUGHHKGCO-UHFFFAOYSA-N
Compound name
1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

143.04834 Da
Monoisotopic Mass

1.1
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.

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