CID 10966489

251928-76-4

Structural Information

Molecular Formula

C₁₄H₂₅BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C(=C)C2CCCCC2

InChI

InChI=1S/C14H25BO2/c1-11(12-9-7-6-8-10-12)15-16-13(2,3)14(4,5)17-15/h12H,1,6-10H2,2-5H3

InChIKey

OMCOUZHMRUKCRO-UHFFFAOYSA-N

Compound name

2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 236.19476 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]+	237.202036	154.0
[M+Na]+	259.183978	159.1
[M-H]-	235.187484	161.2
[M+NH4]+	254.228583	174.9
[M+K]+	275.157918	159.5
[M+H-H2O]+	219.192020	149.8
[M+HCOO]-	281.192961	169.5
[M+CH3COO]-	295.208611	192.0
[M+Na-2H]-	257.169426	156.3
[M]+	236.19421142	151.3
[M]-	236.19530858	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe