CID 529094

3-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=CN=C2C=CC=CN2C1=O
InChI
InChI=1S/C9H8N2O/c1-7-6-10-8-4-2-3-5-11(8)9(7)12/h2-6H,1H3
InChIKey
CVQGFKKCKVAEIK-UHFFFAOYSA-N
Compound name
3-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

160.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 129.5
[M+Na]+ 183.05288 140.7
[M-H]- 159.05638 132.1
[M+NH4]+ 178.09748 149.2
[M+K]+ 199.02682 137.5
[M+H-H2O]+ 143.06092 122.4
[M+HCOO]- 205.06186 151.8
[M+CH3COO]- 219.07751 143.9
[M+Na-2H]- 181.03833 139.7
[M]+ 160.06311 130.8
[M]- 160.06421 130.8
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