CID 16774570

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

Structural Information

Molecular Formula
C7H8N2O4
SMILES
CN1C(=O)C=CN(C1=O)CC(=O)O
InChI
InChI=1S/C7H8N2O4/c1-8-5(10)2-3-9(7(8)13)4-6(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKey
JALZAYSDFUFSIM-UHFFFAOYSA-N
Compound name
2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

184.0484 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 132.1
[M+Na]+ 207.037618 143.1
[M-H]- 183.041124 132.9
[M+NH4]+ 202.082223 149.1
[M+K]+ 223.011558 141.3
[M+H-H2O]+ 167.045660 125.6
[M+HCOO]- 229.046601 153.6
[M+CH3COO]- 243.062251 178.4
[M+Na-2H]- 205.023066 137.7
[M]+ 184.04785142 134.7
[M]- 184.04894858 134.7
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