CID 83880313

4-cyclopropyl-2-methanesulfonylpyrimidine

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
CS(=O)(=O)C1=NC=CC(=N1)C2CC2
InChI
InChI=1S/C8H10N2O2S/c1-13(11,12)8-9-5-4-7(10-8)6-2-3-6/h4-6H,2-3H2,1H3
InChIKey
JJDDZJDVXMZCNQ-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2-methylsulfonylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.0463 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 144.6
[M+Na]+ 221.03552 156.0
[M-H]- 197.03902 150.0
[M+NH4]+ 216.08012 157.1
[M+K]+ 237.00946 151.9
[M+H-H2O]+ 181.04356 137.2
[M+HCOO]- 243.04450 161.6
[M+CH3COO]- 257.06015 183.3
[M+Na-2H]- 219.02097 149.6
[M]+ 198.04575 149.3
[M]- 198.04685 149.3
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

No patent data available for this compound.