CID 208415

32092-24-3

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CC1CCCC2=NC=C(C(=O)N12)C(=O)O
InChI
InChI=1S/C10H12N2O3/c1-6-3-2-4-8-11-5-7(10(14)15)9(13)12(6)8/h5-6H,2-4H2,1H3,(H,14,15)
InChIKey
KOXNRJHZWXSKMF-UHFFFAOYSA-N
Compound name
6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
Patents

208.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 142.7
[M+Na]+ 231.074018 151.6
[M-H]- 207.077524 143.4
[M+NH4]+ 226.118623 159.5
[M+K]+ 247.047958 148.8
[M+H-H2O]+ 191.082060 135.7
[M+HCOO]- 253.083001 159.7
[M+CH3COO]- 267.098651 184.3
[M+Na-2H]- 229.059466 147.9
[M]+ 208.08425142 141.6
[M]- 208.08534858 141.6
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