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

4
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 150.3
[M+Na]+ 247.05117 160.9
[M-H]- 223.05467 155.5
[M+NH4]+ 242.09577 162.0
[M+K]+ 263.02511 156.9
[M+H-H2O]+ 207.05921 142.3
[M+HCOO]- 269.06015 167.1
[M+CH3COO]- 283.07580 190.6
[M+Na-2H]- 245.03662 152.2
[M]+ 224.06140 156.6
[M]- 224.06250 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