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

31
Patents

154.03784 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.045116 127.9
[M+Na]+ 177.027058 137.1
[M-H]- 153.030564 128.1
[M+NH4]+ 172.071663 145.7
[M+K]+ 193.000998 136.2
[M+H-H2O]+ 137.035100 121.1
[M+HCOO]- 199.036041 149.2
[M+CH3COO]- 213.051691 171.6
[M+Na-2H]- 175.012506 135.4
[M]+ 154.03729142 129.1
[M]- 154.03838858 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