CID 132351263

4,4,5,5-tetramethyl-2-{6-oxaspiro[2.5]octan-1-yl}-1,3,2-dioxaborolane

Structural Information

Molecular Formula

C₁₃H₂₃BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2CC23CCOCC3

InChI

InChI=1S/C13H23BO3/c1-11(2)12(3,4)17-14(16-11)10-9-13(10)5-7-15-8-6-13/h10H,5-9H2,1-4H3

InChIKey

UAHHPIOZEURCBR-UHFFFAOYSA-N

Compound name

4,4,5,5-tetramethyl-2-(6-oxaspiro[2.5]octan-2-yl)-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	149.6
[M+Na]+	261.163248	158.2
[M-H]-	237.166754	160.8
[M+NH4]+	256.207853	166.5
[M+K]+	277.137188	162.2
[M+H-H2O]+	221.171290	146.2
[M+HCOO]-	283.172231	163.9
[M+CH3COO]-	297.187881	162.7
[M+Na-2H]-	259.148696	156.4
[M]+	238.17348142	153.0
[M]-	238.17457858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe