CID 74789354

4-nitro-2-[(e)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

Structural Information

Molecular Formula
C13H17BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=NC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H17BN2O4/c1-12(2)13(3,4)20-14(19-12)7-5-10-9-11(16(17)18)6-8-15-10/h5-9H,1-4H3/b7-5+
InChIKey
SYGPLVJRKODTDL-FNORWQNLSA-N
Compound name
4-nitro-2-[(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

276.12814 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13542 159.5
[M+Na]+ 299.11736 172.0
[M+NH4]+ 294.16196 168.9
[M+K]+ 315.09130 167.8
[M-H]- 275.12086 165.2
[M+Na-2H]- 297.10281 166.5
[M]+ 276.12759 163.1
[M]- 276.12869 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.