CID 46739896

4-cyclopropyl-2-(methylthio)pyrimidine

Structural Information

Molecular Formula
C8H10N2S
SMILES
CSC1=NC=CC(=N1)C2CC2
InChI
InChI=1S/C8H10N2S/c1-11-8-9-5-4-7(10-8)6-2-3-6/h4-6H,2-3H2,1H3
InChIKey
QSFHQUAETOYTCV-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.05647 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06375 136.6
[M+Na]+ 189.04569 151.6
[M+NH4]+ 184.09029 146.5
[M+K]+ 205.01963 144.0
[M-H]- 165.04919 146.6
[M+Na-2H]- 187.03114 146.8
[M]+ 166.05592 143.2
[M]- 166.05702 143.2
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.