CID 44118236

443776-76-9

Structural Information

Molecular Formula
C13H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CO
InChI
InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8,15H,9H2,1-4H3
InChIKey
ZEWWJJQAFTXUIS-UHFFFAOYSA-N
Compound name
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

234.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15001 149.2
[M+Na]+ 257.13195 161.5
[M+NH4]+ 252.17655 160.2
[M+K]+ 273.10589 154.6
[M-H]- 233.13545 154.8
[M+Na-2H]- 255.11740 157.2
[M]+ 234.14218 153.0
[M]- 234.14328 153.0
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