CID 46739150

Methyl 4-cyclopropyl-2-(methylthio)pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
COC(=O)C1=CN=C(N=C1C2CC2)SC
InChI
InChI=1S/C10H12N2O2S/c1-14-9(13)7-5-11-10(15-2)12-8(7)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKey
AHCQLIHOJARIKX-UHFFFAOYSA-N
Compound name
methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.06195 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.069226 150.3
[M+Na]+ 247.051168 160.9
[M-H]- 223.054674 155.5
[M+NH4]+ 242.095773 162.0
[M+K]+ 263.025108 156.9
[M+H-H2O]+ 207.059210 142.3
[M+HCOO]- 269.060151 167.1
[M+CH3COO]- 283.075801 190.6
[M+Na-2H]- 245.036616 152.2
[M]+ 224.06140142 156.6
[M]- 224.06249858 156.6
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