CID 16414196

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

Structural Information

Molecular Formula
C11H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCCO2
InChI
InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9/h7H,5-6,8H2,1-4H3
InChIKey
RNRIMDSCBRDPLC-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

291
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

No literature data available for this compound.

Patent stripe

patents stripe