CID 53277860

2-(6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1=C(C(=O)NC=N1)CC(=O)O
InChI
InChI=1S/C6H6N2O3/c9-5(10)1-4-2-7-3-8-6(4)11/h2-3H,1H2,(H,9,10)(H,7,8,11)
InChIKey
GSEPESYJQWQJCZ-UHFFFAOYSA-N
Compound name
2-(6-oxo-1H-pyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

154.03784 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 129.0
[M+Na]+ 177.02706 140.6
[M+NH4]+ 172.07166 134.8
[M+K]+ 193.00100 136.7
[M-H]- 153.03056 127.4
[M+Na-2H]- 175.01251 134.1
[M]+ 154.03729 129.8
[M]- 154.03839 129.8
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