CID 46739365

1218791-18-4

Structural Information

Molecular Formula
C12H17BN2O5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2OC)[N+](=O)[O-]
InChI
InChI=1S/C12H17BN2O5/c1-11(2)12(3,4)20-13(19-11)9-6-8(15(16)17)7-14-10(9)18-5/h6-7H,1-5H3
InChIKey
LNHXXIMEAIRKDX-UHFFFAOYSA-N
Compound name
2-methoxy-5-nitro-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

0
Patents

280.12305 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13033 156.3
[M+Na]+ 303.11227 165.1
[M-H]- 279.11577 164.0
[M+NH4]+ 298.15687 173.7
[M+K]+ 319.08621 162.3
[M+H-H2O]+ 263.12031 155.6
[M+HCOO]- 325.12125 177.5
[M+CH3COO]- 339.13690 193.6
[M+Na-2H]- 301.09772 164.7
[M]+ 280.12250 160.1
[M]- 280.12360 160.1
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.