CID 20580682

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
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

No literature data available for this compound.

Patent stripe

patents stripe