CID 21071189

1211505-91-7

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CNCC2=C1NC(=O)C=C2
InChI
InChI=1S/C8H10N2O/c11-8-2-1-6-5-9-4-3-7(6)10-8/h1-2,9H,3-5H2,(H,10,11)
InChIKey
JCJJNHQIUYSATB-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

150.07932 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 129.5
[M+Na]+ 173.06854 137.2
[M-H]- 149.07204 128.3
[M+NH4]+ 168.11314 147.7
[M+K]+ 189.04248 132.9
[M+H-H2O]+ 133.07658 122.9
[M+HCOO]- 195.07752 146.2
[M+CH3COO]- 209.09317 141.4
[M+Na-2H]- 171.05399 137.9
[M]+ 150.07877 123.5
[M]- 150.07987 123.5
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