CID 59166013

917397-93-4

Structural Information

Molecular Formula
C15H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(C)O
InChI
InChI=1S/C15H23BO3/c1-13(2,17)11-7-9-12(10-8-11)16-18-14(3,4)15(5,6)19-16/h7-10,17H,1-6H3
InChIKey
UVVBTHYPMAWWCK-UHFFFAOYSA-N
Compound name
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

262.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18128 155.8
[M+Na]+ 285.16322 164.4
[M-H]- 261.16672 163.3
[M+NH4]+ 280.20782 175.8
[M+K]+ 301.13716 164.5
[M+H-H2O]+ 245.17126 152.4
[M+HCOO]- 307.17220 173.4
[M+CH3COO]- 321.18785 195.0
[M+Na-2H]- 283.14867 162.1
[M]+ 262.17345 158.9
[M]- 262.17455 158.9
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