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

95
Patents

150.07932 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 129.5
[M+Na]+ 173.068538 137.2
[M-H]- 149.072044 128.3
[M+NH4]+ 168.113143 147.7
[M+K]+ 189.042478 132.9
[M+H-H2O]+ 133.076580 122.9
[M+HCOO]- 195.077521 146.2
[M+CH3COO]- 209.093171 141.4
[M+Na-2H]- 171.053986 137.9
[M]+ 150.07877142 123.5
[M]- 150.07986858 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