CID 62455

2665-13-6

Structural Information

Molecular Formula
C12H24B2O6
SMILES
B1(OCCC(O1)C)OCCC(C)OB2OCCC(O2)C
InChI
InChI=1S/C12H24B2O6/c1-10-4-7-15-13(18-10)16-8-5-11(2)19-14-17-9-6-12(3)20-14/h10-12H,4-9H2,1-3H3
InChIKey
RCIYLEACODIIKU-UHFFFAOYSA-N
Compound name
4-methyl-2-[4-[(4-methyl-1,3,2-dioxaborinan-2-yl)oxy]butan-2-yloxy]-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

93
Patents

286.1759 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18318 166.0
[M+Na]+ 309.16512 175.3
[M+NH4]+ 304.20972 172.2
[M+K]+ 325.13906 172.5
[M-H]- 285.16862 173.0
[M+Na-2H]- 307.15057 166.9
[M]+ 286.17535 169.1
[M]- 286.17645 169.1
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