CID 58710900

4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

234.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15001 146.9
[M+Na]+ 257.13195 156.9
[M-H]- 233.13545 154.9
[M+NH4]+ 252.17655 168.3
[M+K]+ 273.10589 156.9
[M+H-H2O]+ 217.13999 143.4
[M+HCOO]- 279.14093 166.7
[M+CH3COO]- 293.15658 189.7
[M+Na-2H]- 255.11740 152.5
[M]+ 234.14218 150.2
[M]- 234.14328 150.2
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