CID 3074533

5-hydroxy-1,6-dimethyluracil

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CC1=C(C(=O)NC(=O)N1C)O

InChI

InChI=1S/C6H8N2O3/c1-3-4(9)5(10)7-6(11)8(3)2/h9H,1-2H3,(H,7,10,11)

InChIKey

FWSJXUFXMIGDAQ-UHFFFAOYSA-N

Compound name

5-hydroxy-1,6-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.0535 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]+	157.06078	127.3
[M+Na]+	179.04272	139.4
[M-H]-	155.04622	127.1
[M+NH4]+	174.08732	145.2
[M+K]+	195.01666	136.4
[M+H-H2O]+	139.05076	121.6
[M+HCOO]-	201.05170	148.2
[M+CH3COO]-	215.06735	171.9
[M+Na-2H]-	177.02817	133.2
[M]+	156.05295	127.9
[M]-	156.05405	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe