CID 16414180

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

Structural Information

Molecular Formula

C₉H₁₄BNO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CON=C2

InChI

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

InChIKey

LXCICYRNWIGDQA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1303
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	134.2
[M+Na]+	218.09589	144.2
[M-H]-	194.09939	142.3
[M+NH4]+	213.14049	156.1
[M+K]+	234.06983	146.9
[M+H-H2O]+	178.10393	130.9
[M+HCOO]-	240.10487	155.2
[M+CH3COO]-	254.12052	181.2
[M+Na-2H]-	216.08134	141.6
[M]+	195.10612	138.8
[M]-	195.10722	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe