CID 2512745

14383-43-8

Structural Information

Molecular Formula
C6H6N2O4
SMILES
C1=CNC(=O)N(C1=O)CC(=O)O
InChI
InChI=1S/C6H6N2O4/c9-4-1-2-7-6(12)8(4)3-5(10)11/h1-2H,3H2,(H,7,12)(H,10,11)
InChIKey
QFUOATLPSKJDGL-UHFFFAOYSA-N
Compound name
2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

170.03276 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04004 131.5
[M+Na]+ 193.02198 143.0
[M+NH4]+ 188.06658 136.4
[M+K]+ 208.99592 139.8
[M-H]- 169.02548 129.2
[M+Na-2H]- 191.00743 135.7
[M]+ 170.03221 132.0
[M]- 170.03331 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe