CID 156009424

2609867-47-0

Structural Information

Molecular Formula
C12H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CCC(C2)C3
InChI
InChI=1S/C12H21BO2/c1-10(2)11(3,4)15-13(14-10)12-6-5-9(7-12)8-12/h9H,5-8H2,1-4H3
InChIKey
DPAAIXJDYZKDCC-UHFFFAOYSA-N
Compound name
2-(1-bicyclo[2.1.1]hexanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.17075 144.9
[M+Na]+ 231.15269 152.2
[M-H]- 207.15619 151.1
[M+NH4]+ 226.19729 169.6
[M+K]+ 247.12663 153.7
[M+H-H2O]+ 191.16073 141.6
[M+HCOO]- 253.16167 160.1
[M+CH3COO]- 267.17732 158.4
[M+Na-2H]- 229.13814 151.5
[M]+ 208.16292 159.2
[M]- 208.16402 159.2
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

No patent data available for this compound.