CID 137963779

2589755-92-8

Structural Information

Molecular Formula
C12H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CCCC2C3
InChI
InChI=1S/C12H21BO2/c1-10(2)11(3,4)15-13(14-10)12-7-5-6-9(12)8-12/h9H,5-8H2,1-4H3
InChIKey
PVRRUYCRESEPEV-UHFFFAOYSA-N
Compound name
2-(1-bicyclo[3.1.0]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 141.3
[M+Na]+ 231.15269 151.6
[M-H]- 207.15619 151.1
[M+NH4]+ 226.19729 163.1
[M+K]+ 247.12663 152.9
[M+H-H2O]+ 191.16073 139.5
[M+HCOO]- 253.16167 158.5
[M+CH3COO]- 267.17732 155.6
[M+Na-2H]- 229.13814 147.6
[M]+ 208.16292 146.1
[M]- 208.16402 146.1
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

No patent data available for this compound.