CID 44755187

1073354-78-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.11513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12241 153.4
[M+Na]+ 274.10435 166.1
[M+NH4]+ 269.14895 164.8
[M+K]+ 290.07829 156.7
[M-H]- 250.10785 159.2
[M+Na-2H]- 272.08980 161.4
[M]+ 251.11458 157.8
[M]- 251.11568 157.8
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