CID 19778895

Sodium 2-(4,6-dimethylpyrimidin-2-yl)acetate

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=CC(=NC(=N1)CC(=O)O)C
InChI
InChI=1S/C8H10N2O2/c1-5-3-6(2)10-7(9-5)4-8(11)12/h3H,4H2,1-2H3,(H,11,12)
InChIKey
LIYJRKQYMAPWGS-UHFFFAOYSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

166.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.6
[M+Na]+ 189.06345 143.0
[M-H]- 165.06695 133.8
[M+NH4]+ 184.10805 151.3
[M+K]+ 205.03739 141.0
[M+H-H2O]+ 149.07149 127.0
[M+HCOO]- 211.07243 154.0
[M+CH3COO]- 225.08808 177.4
[M+Na-2H]- 187.04890 139.3
[M]+ 166.07368 134.6
[M]- 166.07478 134.6
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