CID 57537917

2-(4,6-dihydroxypyrimidin-5-yl)acetic acid

Structural Information

Molecular Formula
C6H6N2O4
SMILES
C1=NC(=C(C(=O)N1)CC(=O)O)O
InChI
InChI=1S/C6H6N2O4/c9-4(10)1-3-5(11)7-2-8-6(3)12/h2H,1H2,(H,9,10)(H2,7,8,11,12)
InChIKey
PFKVTVXWMUQRQN-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

170.03276 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04004 131.1
[M+Na]+ 193.02198 140.4
[M-H]- 169.02548 128.8
[M+NH4]+ 188.06658 146.8
[M+K]+ 208.99592 137.6
[M+H-H2O]+ 153.03002 124.8
[M+HCOO]- 215.03096 149.7
[M+CH3COO]- 229.04661 170.0
[M+Na-2H]- 191.00743 136.7
[M]+ 170.03221 129.7
[M]- 170.03331 129.7
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