CID 58382247

1093878-29-5

Structural Information

Molecular Formula
C15H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(COC3)O
InChI
InChI=1S/C15H21BO4/c1-13(2)14(3,4)20-16(19-13)12-7-5-11(6-8-12)15(17)9-18-10-15/h5-8,17H,9-10H2,1-4H3
InChIKey
DKLACGQNXNKKHE-UHFFFAOYSA-N
Compound name
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 152.0
[M+Na]+ 299.14252 159.1
[M-H]- 275.14602 163.0
[M+NH4]+ 294.18712 165.1
[M+K]+ 315.11646 163.2
[M+H-H2O]+ 259.15056 144.7
[M+HCOO]- 321.15150 168.6
[M+CH3COO]- 335.16715 198.2
[M+Na-2H]- 297.12797 158.7
[M]+ 276.15275 163.7
[M]- 276.15385 163.7
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