PubChemLite - 106008-93-9 (C42H87BO18)

Structural Information

Molecular Formula

SMILES

B(OCCOCCOCCOCCOCCOCCCC)(OCCOCCOCCOCCOCCOCCCC)OCCOCCOCCOCCOCCOCCCC

InChI

InChI=1S/C42H87BO18/c1-4-7-10-44-13-16-47-19-22-50-25-28-53-31-34-56-37-40-59-43(60-41-38-57-35-32-54-29-26-51-23-20-48-17-14-45-11-8-5-2)61-42-39-58-36-33-55-30-27-52-24-21-49-18-15-46-12-9-6-3/h4-42H2,1-3H3

InChIKey

CJNOBBJGRYKOMN-UHFFFAOYSA-N

Compound name

tris[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl] borate

Related CIDs

2D Structure

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]+	891.60588	337.5
[M+Na]+	913.58782	332.5
[M-H]-	889.59132	324.6
[M+NH4]+	908.63242	347.3
[M+K]+	929.56176	335.2
[M+H-H2O]+	873.59586	338.1
[M+HCOO]-	935.59680	339.7
[M+CH3COO]-	949.61245	299.7
[M+Na-2H]-	911.57327	310.6
[M]+	890.59805	345.5
[M]-	890.59915	345.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

891.60588

337.5

[M+Na]+

913.58782

332.5

[M-H]-

889.59132

324.6

[M+NH4]+

908.63242

347.3

[M+K]+

929.56176

335.2

[M+H-H2O]+

873.59586

338.1

[M+HCOO]-

935.59680

339.7

[M+CH3COO]-

949.61245

299.7

[M+Na-2H]-

911.57327

310.6

[M]+

890.59805

345.5

[M]-

890.59915

345.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

106008-93-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe