CID 53427091

942070-84-0

Structural Information

Molecular Formula

C₉H₁₄BNO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=CO2

InChI

InChI=1S/C9H14BNO3/c1-8(2)9(3,4)14-10(13-8)7-5-11-6-12-7/h5-6H,1-4H3

InChIKey

VKDRZPADYMLKNW-UHFFFAOYSA-N

Compound name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 325
Patents: 195.10667 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]+	196.11395	136.1
[M+Na]+	218.09589	147.5
[M+NH4]+	213.14049	146.7
[M+K]+	234.06983	144.0
[M-H]-	194.09939	141.7
[M+Na-2H]-	216.08134	143.1
[M]+	195.10612	139.7
[M]-	195.10722	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe