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
5
Annotation Hits

0
References

100
Patents

286.1759 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18318 167.8
[M+Na]+ 309.16512 170.1
[M-H]- 285.16862 175.4
[M+NH4]+ 304.20972 177.7
[M+K]+ 325.13906 174.9
[M+H-H2O]+ 269.17316 160.5
[M+HCOO]- 331.17410 180.1
[M+CH3COO]- 345.18975 200.1
[M+Na-2H]- 307.15057 171.3
[M]+ 286.17535 169.7
[M]- 286.17645 169.7
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