CID 71306555

3-(cyclohexylmethyl)phenylboronic acid pinacol ester

Structural Information

Molecular Formula
C19H29BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC3CCCCC3
InChI
InChI=1S/C19H29BO2/c1-18(2)19(3,4)22-20(21-18)17-12-8-11-16(14-17)13-15-9-6-5-7-10-15/h8,11-12,14-15H,5-7,9-10,13H2,1-4H3
InChIKey
UHYFCYWROJPQGL-UHFFFAOYSA-N
Compound name
2-[3-(cyclohexylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.23335 171.9
[M+Na]+ 323.21529 184.2
[M+NH4]+ 318.25989 183.8
[M+K]+ 339.18923 175.1
[M-H]- 299.21879 180.5
[M+Na-2H]- 321.20074 180.5
[M]+ 300.22552 176.6
[M]- 300.22662 176.6
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.