CID 15232997

155057-98-0

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CC2=C(C=CNC2=O)NC1
InChI
InChI=1S/C8H10N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h3,5,9H,1-2,4H2,(H,10,11)
InChIKey
NXLIAWQPRVOLPK-UHFFFAOYSA-N
Compound name
2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

150.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.0
[M+Na]+ 173.06854 142.8
[M+NH4]+ 168.11314 138.4
[M+K]+ 189.04248 136.4
[M-H]- 149.07204 130.8
[M+Na-2H]- 171.05399 135.8
[M]+ 150.07877 131.9
[M]- 150.07987 131.9
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