CID 70816

1135-51-9

Structural Information

Molecular Formula

C₆H₁₂B₂O₆

SMILES

B1(OCCO1)OCCOB2OCCO2

InChI

InChI=1S/C6H12B2O6/c1-2-10-7(9-1)13-5-6-14-8-11-3-4-12-8/h1-6H2

InChIKey

JUHHPHPMDHWWQW-UHFFFAOYSA-N

Compound name

2-[2-(1,3,2-dioxaborolan-2-yloxy)ethoxy]-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 202.082 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]+	203.08928	136.6
[M+Na]+	225.07122	141.3
[M-H]-	201.07472	144.6
[M+NH4]+	220.11582	153.0
[M+K]+	241.04516	146.8
[M+H-H2O]+	185.07926	132.8
[M+HCOO]-	247.08020	156.1
[M+CH3COO]-	261.09585	178.2
[M+Na-2H]-	223.05667	143.3
[M]+	202.08145	140.4
[M]-	202.08255	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe