CID 5373676

7-methyl-1,8-naphthyridin-4(1h)-one

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=NC2=C(C=C1)C(=O)C=CN2
InChI
InChI=1S/C9H8N2O/c1-6-2-3-7-8(12)4-5-10-9(7)11-6/h2-5H,1H3,(H,10,11,12)
InChIKey
JVJJTRYGAHJGAZ-UHFFFAOYSA-N
Compound name
7-methyl-1H-1,8-naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

44
Patents

160.06366 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.3
[M+Na]+ 183.052878 141.0
[M-H]- 159.056384 131.5
[M+NH4]+ 178.097483 149.3
[M+K]+ 199.026818 136.9
[M+H-H2O]+ 143.060920 123.5
[M+HCOO]- 205.061861 151.1
[M+CH3COO]- 219.077511 144.0
[M+Na-2H]- 181.038326 140.0
[M]+ 160.06311142 129.7
[M]- 160.06420858 129.7
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