CID 145926783

2249826-22-8

Structural Information

Molecular Formula

C₁₂H₂₃BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)CC2CCOCC2

InChI

InChI=1S/C12H23BO3/c1-11(2)12(3,4)16-13(15-11)9-10-5-7-14-8-6-10/h10H,5-9H2,1-4H3

InChIKey

IPGDTKLIAIPNJO-UHFFFAOYSA-N

Compound name

4,4,5,5-tetramethyl-2-(oxan-4-ylmethyl)-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	149.0
[M+Na]+	249.16325	154.9
[M-H]-	225.16675	157.0
[M+NH4]+	244.20785	169.0
[M+K]+	265.13719	157.4
[M+H-H2O]+	209.17129	145.1
[M+HCOO]-	271.17223	165.2
[M+CH3COO]-	285.18788	188.4
[M+Na-2H]-	247.14870	154.5
[M]+	226.17348	149.1
[M]-	226.17458	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe