CID 74890720

E-1455

Structural Information

Molecular Formula
C14H20BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CN=C(C=C2)SC
InChI
InChI=1S/C14H20BNO2S/c1-13(2)14(3,4)18-15(17-13)9-8-11-6-7-12(19-5)16-10-11/h6-10H,1-5H3/b9-8+
InChIKey
MTGNTJQBNWXEMY-CMDGGOBGSA-N
Compound name
2-methylsulfanyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.13077 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13805 157.5
[M+Na]+ 300.11999 167.3
[M-H]- 276.12349 164.9
[M+NH4]+ 295.16459 176.9
[M+K]+ 316.09393 166.2
[M+H-H2O]+ 260.12803 152.7
[M+HCOO]- 322.12897 172.5
[M+CH3COO]- 336.14462 196.7
[M+Na-2H]- 298.10544 160.5
[M]+ 277.13022 163.1
[M]- 277.13132 163.1
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.