CID 146082256

Rac-4,4,5,5-tetramethyl-2-[(1r,5s,6r)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C11H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2[C@H]3[C@@H]2COC3
InChI
InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-7-5-13-6-8(7)9/h7-9H,5-6H2,1-4H3/t7-,8+,9?
InChIKey
HHJSEQDSZMCBIO-JVHMLUBASA-N
Compound name
4,4,5,5-tetramethyl-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15001 140.5
[M+Na]+ 233.13195 151.3
[M-H]- 209.13545 151.0
[M+NH4]+ 228.17655 159.4
[M+K]+ 249.10589 153.4
[M+H-H2O]+ 193.13999 138.6
[M+HCOO]- 255.14093 157.3
[M+CH3COO]- 269.15658 155.1
[M+Na-2H]- 231.11740 146.6
[M]+ 210.14218 146.9
[M]- 210.14328 146.9
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

No patent data available for this compound.