CID 101099

59640-46-9

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CSCC1=CC(=O)NC(=O)N1

InChI

InChI=1S/C6H8N2O2S/c1-11-3-4-2-5(9)8-6(10)7-4/h2H,3H2,1H3,(H2,7,8,9,10)

InChIKey

UFFDUWYBBNRDNJ-UHFFFAOYSA-N

Compound name

6-(methylsulfanylmethyl)-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 172.03065 Da
Monoisotopic Mass: -0.7
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]+	173.03793	134.0
[M+Na]+	195.01987	146.2
[M+NH4]+	190.06447	140.8
[M+K]+	210.99381	139.0
[M-H]-	171.02337	133.5
[M+Na-2H]-	193.00532	138.6
[M]+	172.03010	135.8
[M]-	172.03120	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe