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 134.7
[M+Na]+ 189.04569 145.6
[M-H]- 165.04919 139.9
[M+NH4]+ 184.09029 148.7
[M+K]+ 205.01963 141.9
[M+H-H2O]+ 149.05373 126.9
[M+HCOO]- 211.05467 152.7
[M+CH3COO]- 225.07032 147.8
[M+Na-2H]- 187.03114 139.4
[M]+ 166.05592 138.5
[M]- 166.05702 138.5
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.