CID 12778216

83393-46-8

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC(=O)C1=CNC2=C1C=CC=N2
InChI
InChI=1S/C9H8N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-5H,1H3,(H,10,11)
InChIKey
OGMZQWPOZWMDQS-UHFFFAOYSA-N
Compound name
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

160.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 131.2
[M+Na]+ 183.05288 144.6
[M+NH4]+ 178.09748 139.5
[M+K]+ 199.02682 140.3
[M-H]- 159.05638 131.9
[M+Na-2H]- 181.03833 137.8
[M]+ 160.06311 133.2
[M]- 160.06421 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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