CID 79558

Einecs 226-711-8

Structural Information

Molecular Formula
C15H30B2O6
SMILES
B1(OCC(CO1)(C)C)OCC(C)(C)COB2OCC(CO2)(C)C
InChI
InChI=1S/C15H30B2O6/c1-13(2,7-18-16-20-9-14(3,4)10-21-16)8-19-17-22-11-15(5,6)12-23-17/h7-12H2,1-6H3
InChIKey
ZKEFAWFRBQUXIT-UHFFFAOYSA-N
Compound name
2-[3-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

328.22284 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.23012 173.7
[M+Na]+ 351.21206 177.3
[M-H]- 327.21556 181.6
[M+NH4]+ 346.25666 186.2
[M+K]+ 367.18600 182.8
[M+H-H2O]+ 311.22010 168.4
[M+HCOO]- 373.22104 184.6
[M+CH3COO]- 387.23669 207.8
[M+Na-2H]- 349.19751 181.3
[M]+ 328.22229 177.8
[M]- 328.22339 177.8
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