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

1
Patents

188.02556 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03284 135.5
[M+Na]+ 211.01478 146.0
[M-H]- 187.01828 137.4
[M+NH4]+ 206.05938 153.3
[M+K]+ 226.98872 144.1
[M+H-H2O]+ 171.02282 129.1
[M+HCOO]- 233.02376 152.7
[M+CH3COO]- 247.03941 177.4
[M+Na-2H]- 209.00023 141.7
[M]+ 188.02501 140.1
[M]- 188.02611 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe