CID 99779889

1239700-57-2

Structural Information

Molecular Formula

C₁₀H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C(=C)CCO

InChI

InChI=1S/C10H19BO3/c1-8(6-7-12)11-13-9(2,3)10(4,5)14-11/h12H,1,6-7H2,2-5H3

InChIKey

PXYZFYLZNSFEFI-UHFFFAOYSA-N

Compound name

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 198.14273 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]+	199.15001	140.2
[M+Na]+	221.13195	148.1
[M-H]-	197.13545	144.0
[M+NH4]+	216.17655	162.5
[M+K]+	237.10589	149.0
[M+H-H2O]+	181.13999	138.0
[M+HCOO]-	243.14093	158.5
[M+CH3COO]-	257.15658	182.8
[M+Na-2H]-	219.11740	145.5
[M]+	198.14218	142.6
[M]-	198.14328	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe