CID 16414219

940284-18-4

Structural Information

Molecular Formula
C11H17BN2O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)SC
InChI
InChI=1S/C11H17BN2O2S/c1-10(2)11(3,4)16-12(15-10)8-6-13-9(17-5)14-7-8/h6-7H,1-5H3
InChIKey
AFKIHRZPPIRQCI-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

252.11038 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11766 149.0
[M+Na]+ 275.09960 159.7
[M-H]- 251.10310 155.3
[M+NH4]+ 270.14420 168.0
[M+K]+ 291.07354 159.8
[M+H-H2O]+ 235.10764 143.6
[M+HCOO]- 297.10858 163.5
[M+CH3COO]- 311.12423 192.0
[M+Na-2H]- 273.08505 153.1
[M]+ 252.10983 154.7
[M]- 252.11093 154.7
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