CID 68285366

Rac-2-[(2r,6s)-2,6-dimethyl-3,6-dihydro-2h-pyran-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C[C@@H](O[C@@H](C2)C)C
InChI
InChI=1S/C13H23BO3/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h7,9-10H,8H2,1-6H3/t9-,10+/m0/s1
InChIKey
DBRPBBDCXSNINM-VHSXEESVSA-N
Compound name
2-[(2R,6S)-2,6-dimethyl-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

7
Patents

238.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18131 149.5
[M+Na]+ 261.16325 157.9
[M-H]- 237.16675 158.5
[M+NH4]+ 256.20785 169.8
[M+K]+ 277.13719 160.0
[M+H-H2O]+ 221.17129 146.1
[M+HCOO]- 283.17223 166.8
[M+CH3COO]- 297.18788 193.4
[M+Na-2H]- 259.14870 154.4
[M]+ 238.17348 152.2
[M]- 238.17458 152.2
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