CID 119030936

1354911-06-0

Structural Information

Molecular Formula
C13H20BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2C)SC
InChI
InChI=1S/C13H20BNO2S/c1-9-7-11(18-6)15-8-10(9)14-16-12(2,3)13(4,5)17-14/h7-8H,1-6H3
InChIKey
QXFZJDNQLTZSCF-UHFFFAOYSA-N
Compound name
4-methyl-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

0
Patents

265.13077 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13805 152.6
[M+Na]+ 288.11999 163.2
[M-H]- 264.12349 160.4
[M+NH4]+ 283.16459 172.8
[M+K]+ 304.09393 163.0
[M+H-H2O]+ 248.12803 148.2
[M+HCOO]- 310.12897 167.7
[M+CH3COO]- 324.14462 196.4
[M+Na-2H]- 286.10544 155.6
[M]+ 265.13022 159.0
[M]- 265.13132 159.0
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.