CID 11402050

4-(hydroxymethyl)benzeneboronic acid pinacol ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

499
Patents

234.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15001 148.2
[M+Na]+ 257.13195 157.3
[M-H]- 233.13545 155.8
[M+NH4]+ 252.17655 169.2
[M+K]+ 273.10589 157.2
[M+H-H2O]+ 217.13999 144.3
[M+HCOO]- 279.14093 168.0
[M+CH3COO]- 293.15658 188.5
[M+Na-2H]- 255.11740 154.3
[M]+ 234.14218 151.0
[M]- 234.14328 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe