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

2
Patents

212.07971 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 145.0
[M+Na]+ 235.06893 156.5
[M+NH4]+ 230.11353 150.5
[M+K]+ 251.04287 152.5
[M-H]- 211.07243 143.8
[M+Na-2H]- 233.05438 149.4
[M]+ 212.07916 146.0
[M]- 212.08026 146.0
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