CID 67956

5,6-dihydroxyuracil

Structural Information

Molecular Formula

C₄H₄N₂O₄

SMILES

C1(=C(NC(=O)NC1=O)O)O

InChI

InChI=1S/C4H4N2O4/c7-1-2(8)5-4(10)6-3(1)9/h7H,(H3,5,6,8,9,10)

InChIKey

YFQOVSGFCVQZSW-UHFFFAOYSA-N

Compound name

5,6-dihydroxy-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 36
References: 511
Patents: 144.0171 Da
Monoisotopic Mass: -1.3
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]+	145.02438	124.5
[M+Na]+	167.00632	136.0
[M+NH4]+	162.05092	129.5
[M+K]+	182.98026	133.4
[M-H]-	143.00982	121.8
[M+Na-2H]-	164.99177	128.2
[M]+	144.01655	124.9
[M]-	144.01765	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe