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

58
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 128.6
[M+Na]+ 166.03756 141.0
[M-H]- 142.04106 128.7
[M+NH4]+ 161.08216 147.3
[M+K]+ 182.01150 135.6
[M+H-H2O]+ 126.04560 114.9
[M+HCOO]- 188.04654 147.5
[M+CH3COO]- 202.06219 141.0
[M+Na-2H]- 164.02301 136.7
[M]+ 143.04779 123.2
[M]- 143.04889 123.2
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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