CID 2772382

4,6-dimethyl-2-methylsulfonylpyrimidine

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=CC(=NC(=N1)S(=O)(=O)C)C
InChI
InChI=1S/C7H10N2O2S/c1-5-4-6(2)9-7(8-5)12(3,10)11/h4H,1-3H3
InChIKey
ZHPSNGCLCHWTRG-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-methylsulfonylpyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

250
Patents

186.0463 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 136.0
[M+Na]+ 209.035518 147.2
[M-H]- 185.039024 138.2
[M+NH4]+ 204.080123 154.3
[M+K]+ 225.009458 144.6
[M+H-H2O]+ 169.043560 129.9
[M+HCOO]- 231.044501 152.6
[M+CH3COO]- 245.060151 179.5
[M+Na-2H]- 207.020966 141.0
[M]+ 186.04575142 140.0
[M]- 186.04684858 140.0
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