CID 72218290

1617543-88-0

Structural Information

Molecular Formula

C₁₁H₂₁BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)CC2CCOC2

InChI

InChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)7-9-5-6-13-8-9/h9H,5-8H2,1-4H3

InChIKey

BNYSUGPIVCHLSI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.15837 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]+	213.165646	143.6
[M+Na]+	235.147588	150.7
[M-H]-	211.151094	151.9
[M+NH4]+	230.192193	165.9
[M+K]+	251.121528	153.0
[M+H-H2O]+	195.155630	141.2
[M+HCOO]-	257.156571	162.1
[M+CH3COO]-	271.172221	185.3
[M+Na-2H]-	233.133036	148.5
[M]+	212.15782142	145.4
[M]-	212.15891858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe