CID 3668596

Cyclohexylboronic acid, pinacol ester

Structural Information

Molecular Formula
C12H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCCCC2
InChI
InChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3
InChIKey
OUEVCDGYTKLNMJ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

210.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18639 145.9
[M+Na]+ 233.16833 151.8
[M-H]- 209.17183 153.3
[M+NH4]+ 228.21293 168.0
[M+K]+ 249.14227 152.8
[M+H-H2O]+ 193.17637 141.7
[M+HCOO]- 255.17731 162.8
[M+CH3COO]- 269.19296 185.9
[M+Na-2H]- 231.15378 150.4
[M]+ 210.17856 143.8
[M]- 210.17966 143.8
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