CID 2734649

269410-25-5

Structural Information

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

273
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

literature stripe

Patent stripe

patents stripe