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

159
Patents

270.18097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.188246 158.5
[M+Na]+ 293.170188 165.0
[M-H]- 269.173694 167.6
[M+NH4]+ 288.214793 174.1
[M+K]+ 309.144128 170.0
[M+H-H2O]+ 253.178230 153.6
[M+HCOO]- 315.179171 171.7
[M+CH3COO]- 329.194821 198.8
[M+Na-2H]- 291.155636 164.9
[M]+ 270.18042142 161.4
[M]- 270.18151858 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