CID 72211821

2-oxo-1h,2h,3h-pyrrolo[2,3-c]pyridine-4-carbonitrile

Structural Information

Molecular Formula
C8H5N3O
SMILES
C1C2=C(C=NC=C2C#N)NC1=O
InChI
InChI=1S/C8H5N3O/c9-2-5-3-10-4-7-6(5)1-8(12)11-7/h3-4H,1H2,(H,11,12)
InChIKey
DPWJZAMAZSWBMR-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04326 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05054 131.6
[M+Na]+ 182.03248 143.2
[M-H]- 158.03598 131.7
[M+NH4]+ 177.07708 149.8
[M+K]+ 198.00642 138.2
[M+H-H2O]+ 142.04052 118.2
[M+HCOO]- 204.04146 148.5
[M+CH3COO]- 218.05711 143.4
[M+Na-2H]- 180.01793 137.5
[M]+ 159.04271 124.8
[M]- 159.04381 124.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.