CID 96031

2,4-dihydroxy-5,6-dimethylpyrimidine

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CC1=C(NC(=O)NC1=O)C

InChI

InChI=1S/C6H8N2O2/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)

InChIKey

PZVLJGKJIMBYNP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 331
Patents: 140.05858 Da
Monoisotopic Mass: -0.2
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]+	141.06586	126.0
[M+Na]+	163.04780	139.3
[M+NH4]+	158.09240	132.6
[M+K]+	179.02174	134.4
[M-H]-	139.05130	125.4
[M+Na-2H]-	161.03325	131.5
[M]+	140.05803	127.5
[M]-	140.05913	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe