CID 22180605

301666-80-8

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1CNC(=O)C2=C1N=CC(=C2)N
InChI
InChI=1S/C8H9N3O/c9-5-3-6-7(11-4-5)1-2-10-8(6)12/h3-4H,1-2,9H2,(H,10,12)
InChIKey
UGDDYHDRIZJCJY-UHFFFAOYSA-N
Compound name
3-amino-7,8-dihydro-6H-1,6-naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

163.07455 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 132.8
[M+Na]+ 186.06377 141.1
[M-H]- 162.06727 132.9
[M+NH4]+ 181.10837 150.8
[M+K]+ 202.03771 137.2
[M+H-H2O]+ 146.07181 125.8
[M+HCOO]- 208.07275 151.4
[M+CH3COO]- 222.08840 144.9
[M+Na-2H]- 184.04922 140.4
[M]+ 163.07400 127.3
[M]- 163.07510 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

patents stripe