CID 137944567

4,4,5,5-tetramethyl-2-{3-methylbicyclo[1.1.1]pentan-1-yl}-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C
InChI
InChI=1S/C12H21BO2/c1-9(2)10(3,4)15-13(14-9)12-6-11(5,7-12)8-12/h6-8H2,1-5H3
InChIKey
LRIPYJIIRQIOGP-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.17075 151.2
[M+Na]+ 231.15269 156.1
[M-H]- 207.15619 158.6
[M+NH4]+ 226.19729 159.6
[M+K]+ 247.12663 161.7
[M+H-H2O]+ 191.16073 143.0
[M+HCOO]- 253.16167 162.1
[M+CH3COO]- 267.17732 214.1
[M+Na-2H]- 229.13814 158.1
[M]+ 208.16292 177.9
[M]- 208.16402 177.9
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