CID 130565247

5-(ethylsulfanyl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
CCSC1=CN=CN=C1C(=O)O
InChI
InChI=1S/C7H8N2O2S/c1-2-12-5-3-8-4-9-6(5)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKey
OVEXIPPUULAQFE-UHFFFAOYSA-N
Compound name
5-ethylsulfanylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03065 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03793 137.4
[M+Na]+ 207.01987 149.3
[M+NH4]+ 202.06447 144.7
[M+K]+ 222.99381 142.3
[M-H]- 183.02337 137.4
[M+Na-2H]- 205.00532 142.5
[M]+ 184.03010 139.4
[M]- 184.03120 139.4
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

No patent data available for this compound.