CID 2763263

2-(methylthio)pyrimidine-5-boronic acid

Structural Information

Molecular Formula
C5H7BN2O2S
SMILES
B(C1=CN=C(N=C1)SC)(O)O
InChI
InChI=1S/C5H7BN2O2S/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3
InChIKey
SLNVTXVTMQIKCE-UHFFFAOYSA-N
Compound name
(2-methylsulfanylpyrimidin-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

170.03214 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03942 132.4
[M+Na]+ 193.02136 143.9
[M+NH4]+ 188.06596 139.8
[M+K]+ 208.99530 137.7
[M-H]- 169.02486 132.2
[M+Na-2H]- 191.00681 137.3
[M]+ 170.03159 134.2
[M]- 170.03269 134.2
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