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]+ 155.04512 128.5
[M+Na]+ 177.02706 137.2
[M-H]- 153.03056 127.3
[M+NH4]+ 172.07166 145.5
[M+K]+ 193.00100 135.4
[M+H-H2O]+ 137.03510 122.0
[M+HCOO]- 199.03604 148.3
[M+CH3COO]- 213.05169 169.7
[M+Na-2H]- 175.01251 135.5
[M]+ 154.03729 128.0
[M]- 154.03839 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.