CID 72219491

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

Structural Information

Molecular Formula
C13H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)O)OC
InChI
InChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)10-8-9(15)6-7-11(10)16-5/h6-8,15H,1-5H3
InChIKey
RDZLZTVEUNWIGI-UHFFFAOYSA-N
Compound name
4-methoxy-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

22
Patents

250.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.14491 150.0
[M+Na]+ 273.12685 159.9
[M-H]- 249.13035 157.9
[M+NH4]+ 268.17145 170.6
[M+K]+ 289.10079 160.4
[M+H-H2O]+ 233.13489 146.3
[M+HCOO]- 295.13583 170.0
[M+CH3COO]- 309.15148 191.9
[M+Na-2H]- 271.11230 155.8
[M]+ 250.13708 154.8
[M]- 250.13818 154.8
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