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]+ 213.08699 143.7
[M+Na]+ 235.06893 152.3
[M-H]- 211.07243 143.7
[M+NH4]+ 230.11353 159.3
[M+K]+ 251.04287 151.3
[M+H-H2O]+ 195.07697 136.3
[M+HCOO]- 257.07791 164.2
[M+CH3COO]- 271.09356 184.6
[M+Na-2H]- 233.05438 148.9
[M]+ 212.07916 148.0
[M]- 212.08026 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