CID 155978457

Rac-4,4,5,5-tetramethyl-2-[(1r,6r)-3-oxabicyclo[4.1.0]heptan-6-yl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@]23CCOC[C@@H]2C3
InChI
InChI=1S/C12H21BO3/c1-10(2)11(3,4)16-13(15-10)12-5-6-14-8-9(12)7-12/h9H,5-8H2,1-4H3/t9-,12+/m0/s1
InChIKey
XBEKGAUQXFJQQX-JOYOIKCWSA-N
Compound name
4,4,5,5-tetramethyl-2-[(1R,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16565 145.9
[M+Na]+ 247.14759 155.4
[M-H]- 223.15109 156.1
[M+NH4]+ 242.19219 164.1
[M+K]+ 263.12153 159.1
[M+H-H2O]+ 207.15563 142.8
[M+HCOO]- 269.15657 160.2
[M+CH3COO]- 283.17222 159.4
[M+Na-2H]- 245.13304 154.1
[M]+ 224.15782 150.8
[M]- 224.15892 150.8
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.