CID 11344253

2-oxo-1,2-dihydro-1,8-naphthyridine-3-carbonitrile

Structural Information

Molecular Formula
C9H5N3O
SMILES
C1=CC2=C(NC(=O)C(=C2)C#N)N=C1
InChI
InChI=1S/C9H5N3O/c10-5-7-4-6-2-1-3-11-8(6)12-9(7)13/h1-4H,(H,11,12,13)
InChIKey
HUWKQMRNPHUGMK-UHFFFAOYSA-N
Compound name
2-oxo-1H-1,8-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

171.04326 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05054 135.0
[M+Na]+ 194.03248 147.1
[M-H]- 170.03598 135.1
[M+NH4]+ 189.07708 151.1
[M+K]+ 210.00642 141.5
[M+H-H2O]+ 154.04052 121.3
[M+HCOO]- 216.04146 152.0
[M+CH3COO]- 230.05711 146.5
[M+Na-2H]- 192.01793 143.5
[M]+ 171.04271 129.0
[M]- 171.04381 129.0
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

patents stripe