CID 23553751

1009307-13-4

Structural Information

Molecular Formula

C₁₁H₁₉BO₄

SMILES

B1(OC(C(O1)(C)C)(C)C)/C=C/C(=O)OCC

InChI

InChI=1S/C11H19BO4/c1-6-14-9(13)7-8-12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3/b8-7+

InChIKey

ZXDDITJXZPTHFE-BQYQJAHWSA-N

Compound name

ethyl (E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 798
Patents: 226.13763 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]+	227.14491	145.2
[M+Na]+	249.12685	153.5
[M-H]-	225.13035	150.3
[M+NH4]+	244.17145	167.1
[M+K]+	265.10079	155.1
[M+H-H2O]+	209.13489	142.7
[M+HCOO]-	271.13583	165.2
[M+CH3COO]-	285.15148	188.3
[M+Na-2H]-	247.11230	150.7
[M]+	226.13708	150.5
[M]-	226.13818	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe