CID 82652834

2377035-58-8

Structural Information

Molecular Formula
C7H8N2O3
SMILES
COC1=NC=NC(=C1)CC(=O)O
InChI
InChI=1S/C7H8N2O3/c1-12-6-2-5(3-7(10)11)8-4-9-6/h2,4H,3H2,1H3,(H,10,11)
InChIKey
HAUCUHJEZARYPJ-UHFFFAOYSA-N
Compound name
2-(6-methoxypyrimidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 132.2
[M+Na]+ 191.042718 140.9
[M-H]- 167.046224 132.2
[M+NH4]+ 186.087323 149.3
[M+K]+ 207.016658 139.7
[M+H-H2O]+ 151.050760 125.2
[M+HCOO]- 213.051701 153.2
[M+CH3COO]- 227.067351 175.2
[M+Na-2H]- 189.028166 139.2
[M]+ 168.05295142 133.9
[M]- 168.05404858 133.9
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