CID 255733

2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid

Structural Information

Molecular Formula
C6H6N2O4
SMILES
C1=CN(C(=O)NC1=O)CC(=O)O
InChI
InChI=1S/C6H6N2O4/c9-4-1-2-8(3-5(10)11)6(12)7-4/h1-2H,3H2,(H,10,11)(H,7,9,12)
InChIKey
ZFNQFXDDQAEAFI-UHFFFAOYSA-N
Compound name
2-(2,4-dioxopyrimidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

433
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 129.2
[M+Na]+ 193.02198 139.2
[M-H]- 169.02548 128.3
[M+NH4]+ 188.06658 145.6
[M+K]+ 208.99592 136.7
[M+H-H2O]+ 153.03002 122.8
[M+HCOO]- 215.03096 149.5
[M+CH3COO]- 229.04661 171.6
[M+Na-2H]- 191.00743 135.4
[M]+ 170.03221 129.0
[M]- 170.03331 129.0
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