CID 53678611

Methyl 5-hydroxypyrimidine-2-carboxylate

Structural Information

Molecular Formula
C6H6N2O3
SMILES
COC(=O)C1=NC=C(C=N1)O
InChI
InChI=1S/C6H6N2O3/c1-11-6(10)5-7-2-4(9)3-8-5/h2-3,9H,1H3
InChIKey
BEZDJOOHPCJDAY-UHFFFAOYSA-N
Compound name
methyl 5-hydroxypyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

154.03784 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 127.9
[M+Na]+ 177.02706 137.1
[M-H]- 153.03056 128.1
[M+NH4]+ 172.07166 145.7
[M+K]+ 193.00100 136.2
[M+H-H2O]+ 137.03510 121.1
[M+HCOO]- 199.03604 149.2
[M+CH3COO]- 213.05169 171.6
[M+Na-2H]- 175.01251 135.4
[M]+ 154.03729 129.1
[M]- 154.03839 129.1
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