CID 119095121

98135-08-1

Structural Information

Molecular Formula

C₆H₈N₂O₃S

SMILES

COC1=CC(=NC=N1)S(=O)(=O)C

InChI

InChI=1S/C6H8N2O3S/c1-11-5-3-6(8-4-7-5)12(2,9)10/h3-4H,1-2H3

InChIKey

TZMGYJUEMIXLKD-UHFFFAOYSA-N

Compound name

4-methoxy-6-methylsulfonylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 188.02556 Da
Monoisotopic Mass: 0.1
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]+	189.032836	135.5
[M+Na]+	211.014778	146.0
[M-H]-	187.018284	137.4
[M+NH4]+	206.059383	153.3
[M+K]+	226.988718	144.1
[M+H-H2O]+	171.022820	129.1
[M+HCOO]-	233.023761	152.7
[M+CH3COO]-	247.039411	177.4
[M+Na-2H]-	209.000226	141.7
[M]+	188.02501142	140.1
[M]-	188.02610858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe