CID 39870841

6-cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CSC1=NC(=CC(=N1)C(=O)O)C2CC2
InChI
InChI=1S/C9H10N2O2S/c1-14-9-10-6(5-2-3-5)4-7(11-9)8(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKey
CTIULVWBXFFROZ-UHFFFAOYSA-N
Compound name
6-cyclopropyl-2-methylsulfanylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

210.0463 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 147.5
[M+Na]+ 233.03552 160.9
[M+NH4]+ 228.08012 155.5
[M+K]+ 249.00946 155.2
[M-H]- 209.03902 155.7
[M+Na-2H]- 231.02097 155.4
[M]+ 210.04575 153.1
[M]- 210.04685 153.1
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

patents stripe