CID 58685604

651030-56-7

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CCO
InChI
InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)12-7-5-6-11(10-12)8-9-16/h5-7,10,16H,8-9H2,1-4H3
InChIKey
NJOVPKLUJRKAGP-UHFFFAOYSA-N
Compound name
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.16565 152.9
[M+Na]+ 271.14759 161.5
[M-H]- 247.15109 160.2
[M+NH4]+ 266.19219 173.3
[M+K]+ 287.12153 161.2
[M+H-H2O]+ 231.15563 148.7
[M+HCOO]- 293.15657 172.3
[M+CH3COO]- 307.17222 191.5
[M+Na-2H]- 269.13304 158.4
[M]+ 248.15782 156.0
[M]- 248.15892 156.0
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