CID 137945944

2287334-14-7

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1CNC(=O)C2=CN=CC(=C21)N
InChI
InChI=1S/C8H9N3O/c9-7-4-10-3-6-5(7)1-2-11-8(6)12/h3-4H,1-2,9H2,(H,11,12)
InChIKey
UMDDASRTMXZFEY-UHFFFAOYSA-N
Compound name
5-amino-3,4-dihydro-2H-2,7-naphthyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07455 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 132.8
[M+Na]+ 186.063768 141.1
[M-H]- 162.067274 132.9
[M+NH4]+ 181.108373 150.8
[M+K]+ 202.037708 137.2
[M+H-H2O]+ 146.071810 125.8
[M+HCOO]- 208.072751 151.4
[M+CH3COO]- 222.088401 144.9
[M+Na-2H]- 184.049216 140.4
[M]+ 163.07400142 127.3
[M]- 163.07509858 127.3
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.