CID 83814742

2-(hydroxymethyl)pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1=C(C=NC(=N1)CO)C(=O)O
InChI
InChI=1S/C6H6N2O3/c9-3-5-7-1-4(2-8-5)6(10)11/h1-2,9H,3H2,(H,10,11)
InChIKey
CKRIBIZAUPMLBU-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 128.5
[M+Na]+ 177.027058 137.2
[M-H]- 153.030564 127.3
[M+NH4]+ 172.071663 145.5
[M+K]+ 193.000998 135.4
[M+H-H2O]+ 137.035100 122.0
[M+HCOO]- 199.036041 148.3
[M+CH3COO]- 213.051691 169.7
[M+Na-2H]- 175.012506 135.5
[M]+ 154.03729142 128.0
[M]- 154.03838858 128.0
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

No patent data available for this compound.