CID 11218053

3,6-dihydro-2h-pyran-4-boronic acid pinacol ester

Structural Information

Molecular Formula
C11H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCOCC2
InChI
InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5H,6-8H2,1-4H3
InChIKey
DOSGEBYQRMBTGS-UHFFFAOYSA-N
Compound name
2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4535
Patents

210.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15001 142.5
[M+Na]+ 233.13195 149.9
[M-H]- 209.13545 151.2
[M+NH4]+ 228.17655 163.3
[M+K]+ 249.10589 152.5
[M+H-H2O]+ 193.13999 138.8
[M+HCOO]- 255.14093 160.5
[M+CH3COO]- 269.15658 185.0
[M+Na-2H]- 231.11740 149.5
[M]+ 210.14218 143.7
[M]- 210.14328 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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