CID 125508223

1380313-76-7

Structural Information

Molecular Formula

C₁₂H₂₃BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2(CCOCC2)C

InChI

InChI=1S/C12H23BO3/c1-10(2)11(3,4)16-13(15-10)12(5)6-8-14-9-7-12/h6-9H2,1-5H3

InChIKey

JVUWLWHKRGIMNW-UHFFFAOYSA-N

Compound name

4,4,5,5-tetramethyl-2-(4-methyloxan-4-yl)-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 226.17403 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]+	227.18131	145.2
[M+Na]+	249.16325	152.1
[M-H]-	225.16675	153.6
[M+NH4]+	244.20785	167.2
[M+K]+	265.13719	154.9
[M+H-H2O]+	209.17129	142.2
[M+HCOO]-	271.17223	161.4
[M+CH3COO]-	285.18788	188.3
[M+Na-2H]-	247.14870	152.2
[M]+	226.17348	145.9
[M]-	226.17458	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe