CID 13163273

90402-62-3

Structural Information

Molecular Formula

C₉H₁₀N₂O₄

SMILES

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

InChI

InChI=1S/C9H10N2O4/c1-10-5-6(3-4-7(12)13)8(14)11(2)9(10)15/h3-5H,1-2H3,(H,12,13)/b4-3+

InChIKey

BXDMLLVPFRNSLE-ONEGZZNKSA-N

Compound name

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.06406 Da
Monoisotopic Mass: -0.6
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]+	211.071336	139.4
[M+Na]+	233.053278	150.9
[M-H]-	209.056784	140.4
[M+NH4]+	228.097883	155.7
[M+K]+	249.027218	148.0
[M+H-H2O]+	193.061320	133.0
[M+HCOO]-	255.062261	160.5
[M+CH3COO]-	269.077911	184.2
[M+Na-2H]-	231.038726	143.3
[M]+	210.06351142	142.4
[M]-	210.06460858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.