CID 74789581

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

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)O)C)C
InChI
InChI=1S/C14H21BO3/c1-9-10(2)12(16)8-7-11(9)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
InChIKey
JXGCQDIDAXVDML-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.16565 150.2
[M+Na]+ 271.14759 160.7
[M-H]- 247.15109 158.3
[M+NH4]+ 266.19219 171.3
[M+K]+ 287.12153 160.4
[M+H-H2O]+ 231.15563 146.8
[M+HCOO]- 293.15657 169.6
[M+CH3COO]- 307.17222 194.0
[M+Na-2H]- 269.13304 154.7
[M]+ 248.15782 154.2
[M]- 248.15892 154.2
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

No patent data available for this compound.