CID 2925004

956783-58-7

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1=CC=CC2=NC(=O)CC(N12)(C)C(=O)O
InChI
InChI=1S/C11H12N2O3/c1-7-4-3-5-8-12-9(14)6-11(2,10(15)16)13(7)8/h3-5H,6H2,1-2H3,(H,15,16)
InChIKey
DITIYMYKXHWNFI-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.092076 146.3
[M+Na]+ 243.074018 155.8
[M-H]- 219.077524 147.3
[M+NH4]+ 238.118623 164.7
[M+K]+ 259.047958 153.1
[M+H-H2O]+ 203.082060 139.8
[M+HCOO]- 265.083001 163.1
[M+CH3COO]- 279.098651 186.8
[M+Na-2H]- 241.059466 152.3
[M]+ 220.08425142 145.9
[M]- 220.08534858 145.9
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

No patent data available for this compound.