CID 15926040

1,2,3,4-tetrahydro-1,8-naphthyridin-2-one

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1CC(=O)NC2=C1C=CC=N2
InChI
InChI=1S/C8H8N2O/c11-7-4-3-6-2-1-5-9-8(6)10-7/h1-2,5H,3-4H2,(H,9,10,11)
InChIKey
KQJVDEBWHJRJBT-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

770
Patents

148.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 128.5
[M+Na]+ 171.052878 136.6
[M-H]- 147.056384 128.7
[M+NH4]+ 166.097483 147.3
[M+K]+ 187.026818 133.2
[M+H-H2O]+ 131.060920 121.5
[M+HCOO]- 193.061861 146.7
[M+CH3COO]- 207.077511 141.1
[M+Na-2H]- 169.038326 137.4
[M]+ 148.06311142 124.2
[M]- 148.06420858 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