CID 44755191

849934-89-0

Structural Information

Molecular Formula
C12H18BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)SC
InChI
InChI=1S/C12H18BNO2S/c1-11(2)12(3,4)16-13(15-11)9-6-7-10(17-5)14-8-9/h6-8H,1-5H3
InChIKey
SZKBDXPXVCJLSS-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

251.11513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12241 149.3
[M+Na]+ 274.10435 159.5
[M-H]- 250.10785 156.9
[M+NH4]+ 269.14895 169.7
[M+K]+ 290.07829 159.5
[M+H-H2O]+ 234.11239 144.7
[M+HCOO]- 296.11333 164.8
[M+CH3COO]- 310.12898 192.2
[M+Na-2H]- 272.08980 153.3
[M]+ 251.11458 154.9
[M]- 251.11568 154.9
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