CID 136029155

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

Structural Information

Molecular Formula
C8H5N3O
SMILES
C1=CC2=C(C(=C(N2)O)C#N)N=C1
InChI
InChI=1S/C8H5N3O/c9-4-5-7-6(11-8(5)12)2-1-3-10-7/h1-3,11-12H
InChIKey
METOCGOPVSIXJX-UHFFFAOYSA-N
Compound name
2-hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

159.04326 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05054 133.4
[M+Na]+ 182.03248 146.1
[M+NH4]+ 177.07708 137.9
[M+K]+ 198.00642 138.8
[M-H]- 158.03598 126.5
[M+Na-2H]- 180.01793 136.8
[M]+ 159.04271 132.3
[M]- 159.04381 132.3
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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