CID 58006025

897952-14-6

Structural Information

Molecular Formula

C₈H₁₀BNO₅

SMILES

B(C1=CN=C(C=C1)OCC(=O)OC)(O)O

InChI

InChI=1S/C8H10BNO5/c1-14-8(11)5-15-7-3-2-6(4-10-7)9(12)13/h2-4,12-13H,5H2,1H3

InChIKey

RSEOANUIYJWZMM-UHFFFAOYSA-N

Compound name

[6-(2-methoxy-2-oxoethoxy)pyridin-3-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 211.0652 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.07248	142.9
[M+Na]+	234.05442	152.9
[M+NH4]+	229.09902	148.2
[M+K]+	250.02836	150.2
[M-H]-	210.05792	141.2
[M+Na-2H]-	232.03987	146.7
[M]+	211.06465	143.4
[M]-	211.06575	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe