CID 61764

2,2'-oxybis(4,4,6-trimethyl-1,3,2-dioxaborinane)

Structural Information

Molecular Formula
C12H24B2O5
SMILES
B1(OC(CC(O1)(C)C)C)OB2OC(CC(O2)(C)C)C
InChI
InChI=1S/C12H24B2O5/c1-9-7-11(3,4)17-13(15-9)19-14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3
InChIKey
KUZYYSNLEIAJQJ-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-2-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

116
Patents

270.18097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18825 158.5
[M+Na]+ 293.17019 165.0
[M-H]- 269.17369 167.6
[M+NH4]+ 288.21479 174.1
[M+K]+ 309.14413 170.0
[M+H-H2O]+ 253.17823 153.6
[M+HCOO]- 315.17917 171.7
[M+CH3COO]- 329.19482 198.8
[M+Na-2H]- 291.15564 164.9
[M]+ 270.18042 161.4
[M]- 270.18152 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe