CID 165979919

4-chloro-6-methyl-2-[2-(methylsulfanyl)ethyl]pyrimidine

Structural Information

Molecular Formula
C8H11ClN2S
SMILES
CC1=CC(=NC(=N1)CCSC)Cl
InChI
InChI=1S/C8H11ClN2S/c1-6-5-7(9)11-8(10-6)3-4-12-2/h5H,3-4H2,1-2H3
InChIKey
HFYUDPXAXDBACD-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-(2-methylsulfanylethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.03314 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04042 138.0
[M+Na]+ 225.02236 148.7
[M-H]- 201.02586 139.5
[M+NH4]+ 220.06696 156.7
[M+K]+ 240.99630 144.1
[M+H-H2O]+ 185.03040 132.0
[M+HCOO]- 247.03134 150.4
[M+CH3COO]- 261.04699 183.6
[M+Na-2H]- 223.00781 141.4
[M]+ 202.03259 143.1
[M]- 202.03369 143.1
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.