CID 55267501

902130-88-5

Structural Information

Molecular Formula
C8H10N2O4
SMILES
COC1=NC(=NC=C1CC(=O)O)OC
InChI
InChI=1S/C8H10N2O4/c1-13-7-5(3-6(11)12)4-9-8(10-7)14-2/h4H,3H2,1-2H3,(H,11,12)
InChIKey
NMFYUGVGVKHQKB-UHFFFAOYSA-N
Compound name
2-(2,4-dimethoxypyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

198.06406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 139.1
[M+Na]+ 221.05328 148.2
[M-H]- 197.05678 139.3
[M+NH4]+ 216.09788 155.3
[M+K]+ 237.02722 147.4
[M+H-H2O]+ 181.06132 132.0
[M+HCOO]- 243.06226 160.0
[M+CH3COO]- 257.07791 181.6
[M+Na-2H]- 219.03873 144.9
[M]+ 198.06351 143.0
[M]- 198.06461 143.0
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