CID 2736220

3-(4,6-dimethoxypyrimidin-2-yl)propanoic acid

Structural Information

Molecular Formula
C9H12N2O4
SMILES
COC1=CC(=NC(=N1)CCC(=O)O)OC
InChI
InChI=1S/C9H12N2O4/c1-14-7-5-8(15-2)11-6(10-7)3-4-9(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKey
SDYFADHIGDAJDG-UHFFFAOYSA-N
Compound name
3-(4,6-dimethoxypyrimidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.07971 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.086986 143.7
[M+Na]+ 235.068928 152.3
[M-H]- 211.072434 143.7
[M+NH4]+ 230.113533 159.3
[M+K]+ 251.042868 151.3
[M+H-H2O]+ 195.076970 136.3
[M+HCOO]- 257.077911 164.2
[M+CH3COO]- 271.093561 184.6
[M+Na-2H]- 233.054376 148.9
[M]+ 212.07916142 148.0
[M]- 212.08025858 148.0
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