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

78
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 154.9
[M+Na]+ 299.14252 162.2
[M+NH4]+ 294.18712 162.6
[M+K]+ 315.11646 156.7
[M-H]- 275.14602 159.6
[M+Na-2H]- 297.12797 161.5
[M]+ 276.15275 156.7
[M]- 276.15385 156.7
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