CID 77231381

1202245-67-7

Structural Information

Molecular Formula

C₁₃H₂₃BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C(=C)C2CCOCC2

InChI

InChI=1S/C13H23BO3/c1-10(11-6-8-15-9-7-11)14-16-12(2,3)13(4,5)17-14/h11H,1,6-9H2,2-5H3

InChIKey

XLAJGUYZHNFJKT-UHFFFAOYSA-N

Compound name

4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)ethenyl]-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 238.17403 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]+	239.181306	152.8
[M+Na]+	261.163248	158.3
[M-H]-	237.166754	160.7
[M+NH4]+	256.207853	172.1
[M+K]+	277.137188	160.4
[M+H-H2O]+	221.171290	149.0
[M+HCOO]-	283.172231	167.7
[M+CH3COO]-	297.187881	191.5
[M+Na-2H]-	259.148696	156.6
[M]+	238.17348142	151.9
[M]-	238.17457858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe