CID 4766663

Methyl 6-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylate

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
CC1=CC(=NC(=N1)SC)C(=O)OC
InChI
InChI=1S/C8H10N2O2S/c1-5-4-6(7(11)12-2)10-8(9-5)13-3/h4H,1-3H3
InChIKey
HMJWTOFSFHDFDA-UHFFFAOYSA-N
Compound name
methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

198.0463 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 139.4
[M+Na]+ 221.03552 149.3
[M-H]- 197.03902 141.2
[M+NH4]+ 216.08012 157.1
[M+K]+ 237.00946 147.2
[M+H-H2O]+ 181.04356 132.6
[M+HCOO]- 243.04450 156.1
[M+CH3COO]- 257.06015 183.1
[M+Na-2H]- 219.02097 142.2
[M]+ 198.04575 144.3
[M]- 198.04685 144.3
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

patents stripe