CID 145874240

2246920-82-9

Structural Information

Molecular Formula

C₁₃H₂₃BO₃

SMILES

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

InChI

InChI=1S/C13H23BO3/c1-12(2)13(3,4)17-14(16-12)8-5-11-6-9-15-10-7-11/h5,8,11H,6-7,9-10H2,1-4H3/b8-5+

InChIKey

XNDFSDONEUAXBI-VMPITWQZSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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	152.6
[M+Na]+	261.163248	158.5
[M-H]-	237.166754	160.5
[M+NH4]+	256.207853	172.1
[M+K]+	277.137188	160.1
[M+H-H2O]+	221.171290	148.6
[M+HCOO]-	283.172231	168.6
[M+CH3COO]-	297.187881	189.9
[M+Na-2H]-	259.148696	157.5
[M]+	238.17348142	152.2
[M]-	238.17457858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe