CID 86222897

2377607-96-8

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)CO)C
InChI
InChI=1S/C14H21BO3/c1-10-6-11(9-16)8-12(7-10)15-17-13(2,3)14(4,5)18-15/h6-8,16H,9H2,1-5H3
InChIKey
DHMSQZHEQIAFGF-UHFFFAOYSA-N
Compound name
[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.16565 151.6
[M+Na]+ 271.14759 161.2
[M-H]- 247.15109 159.3
[M+NH4]+ 266.19219 172.4
[M+K]+ 287.12153 160.9
[M+H-H2O]+ 231.15563 147.8
[M+HCOO]- 293.15657 171.0
[M+CH3COO]- 307.17222 192.7
[M+Na-2H]- 269.13304 156.6
[M]+ 248.15782 155.2
[M]- 248.15892 155.2
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