CID 4159151

5-methoxy-2-(methylsulfonyl)pyrimidine

Structural Information

Molecular Formula
C6H8N2O3S
SMILES
COC1=CN=C(N=C1)S(=O)(=O)C
InChI
InChI=1S/C6H8N2O3S/c1-11-5-3-7-6(8-4-5)12(2,9)10/h3-4H,1-2H3
InChIKey
VZZFSIFKVARSJZ-UHFFFAOYSA-N
Compound name
5-methoxy-2-methylsulfonylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

188.02556 Da
Monoisotopic Mass

-0.3
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

literature stripe

Patent stripe

patents stripe