CID 13052842

4869-45-8

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

CN1C=C(C(=O)N(C1=O)C)C(=O)O

InChI

InChI=1S/C7H8N2O4/c1-8-3-4(6(11)12)5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12)

InChIKey

OQOZKHDSUDJUDR-UHFFFAOYSA-N

Compound name

1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 184.0484 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.05568	135.2
[M+Na]+	207.03762	147.9
[M+NH4]+	202.08222	140.4
[M+K]+	223.01156	144.6
[M-H]-	183.04112	133.6
[M+Na-2H]-	205.02307	139.4
[M]+	184.04785	136.2
[M]-	184.04895	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe