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

3
Patents

224.06195 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 151.6
[M+Na]+ 247.05117 165.3
[M+NH4]+ 242.09577 159.8
[M+K]+ 263.02511 159.1
[M-H]- 223.05467 160.2
[M+Na-2H]- 245.03662 159.8
[M]+ 224.06140 157.5
[M]- 224.06250 157.5
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

patents stripe