CID 255733

4113-97-7

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: 152
Patents: 170.03276 Da
Monoisotopic Mass: -1.2
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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe