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]+ 221.09208 146.3
[M+Na]+ 243.07402 155.8
[M-H]- 219.07752 147.3
[M+NH4]+ 238.11862 164.7
[M+K]+ 259.04796 153.1
[M+H-H2O]+ 203.08206 139.8
[M+HCOO]- 265.08300 163.1
[M+CH3COO]- 279.09865 186.8
[M+Na-2H]- 241.05947 152.3
[M]+ 220.08425 145.9
[M]- 220.08535 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.