CID 46739700

889659-70-5

Structural Information

Molecular Formula
C13H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)O)C
InChI
InChI=1S/C13H19BO3/c1-9-6-10(8-11(15)7-9)14-16-12(2,3)13(4,5)17-14/h6-8,15H,1-5H3
InChIKey
HECOEAIIOZQGFO-UHFFFAOYSA-N
Compound name
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

234.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15001 148.5
[M+Na]+ 257.13195 161.2
[M+NH4]+ 252.17655 159.4
[M+K]+ 273.10589 154.4
[M-H]- 233.13545 154.1
[M+Na-2H]- 255.11740 156.3
[M]+ 234.14218 152.3
[M]- 234.14328 152.3
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