CID 15341443

5-amino-2-(methylthio)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C6H7N3O2S
SMILES
CSC1=NC=C(C(=N1)C(=O)O)N
InChI
InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
InChIKey
NTEPDMJNOBYJHJ-UHFFFAOYSA-N
Compound name
5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

185.0259 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03318 136.8
[M+Na]+ 208.01512 147.6
[M+NH4]+ 203.05972 143.5
[M+K]+ 223.98906 141.8
[M-H]- 184.01862 136.9
[M+Na-2H]- 206.00057 141.1
[M]+ 185.02535 138.5
[M]- 185.02645 138.5
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