CID 133551175

2223029-05-6

Structural Information

Molecular Formula
C17H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3CCOCC3
InChI
InChI=1S/C17H25BO3/c1-16(2)17(3,4)21-18(20-16)15-7-5-6-14(12-15)13-8-10-19-11-9-13/h5-7,12-13H,8-11H2,1-4H3
InChIKey
OJYHAJQLXVWLED-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(oxan-4-yl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19695 165.6
[M+Na]+ 311.17889 171.9
[M-H]- 287.18239 176.9
[M+NH4]+ 306.22349 182.9
[M+K]+ 327.15283 172.8
[M+H-H2O]+ 271.18693 159.8
[M+HCOO]- 333.18787 181.6
[M+CH3COO]- 347.20352 177.7
[M+Na-2H]- 309.16434 169.2
[M]+ 288.18912 165.2
[M]- 288.19022 165.2
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

No patent data available for this compound.