CID 2734316

Bis(neopentyl glycolato)diboron

Structural Information

Molecular Formula
C10H20B2O4
SMILES
B1(OCC(CO1)(C)C)B2OCC(CO2)(C)C
InChI
InChI=1S/C10H20B2O4/c1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12/h5-8H2,1-4H3
InChIKey
MDNDJMCSXOXBFZ-UHFFFAOYSA-N
Compound name
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3074
Patents

226.15477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.16205 148.1
[M+Na]+ 249.14399 153.7
[M-H]- 225.14749 156.8
[M+NH4]+ 244.18859 164.8
[M+K]+ 265.11793 158.4
[M+H-H2O]+ 209.15203 143.1
[M+HCOO]- 271.15297 161.7
[M+CH3COO]- 285.16862 188.1
[M+Na-2H]- 247.12944 156.4
[M]+ 226.15422 147.9
[M]- 226.15532 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe