CID 12320311

37125-44-3

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1C2=C(CNC1=O)C=CN=C2
InChI
InChI=1S/C8H8N2O/c11-8-3-7-4-9-2-1-6(7)5-10-8/h1-2,4H,3,5H2,(H,10,11)
InChIKey
PXOASSQTDFEUJS-UHFFFAOYSA-N
Compound name
2,4-dihydro-1H-2,6-naphthyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

148.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 128.5
[M+Na]+ 171.05288 136.6
[M-H]- 147.05638 128.7
[M+NH4]+ 166.09748 147.3
[M+K]+ 187.02682 133.2
[M+H-H2O]+ 131.06092 121.5
[M+HCOO]- 193.06186 146.7
[M+CH3COO]- 207.07751 141.1
[M+Na-2H]- 169.03833 137.4
[M]+ 148.06311 124.2
[M]- 148.06421 124.2
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

patents stripe