CID 72219059

2-(cyclohexylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C#CC2CCCCC2
InChI
InChI=1S/C14H23BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h12H,5-9H2,1-4H3
InChIKey
UQUSOVVXRZEHBN-UHFFFAOYSA-N
Compound name
2-(2-cyclohexylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18639 147.9
[M+Na]+ 257.16833 157.6
[M-H]- 233.17183 153.5
[M+NH4]+ 252.21293 167.1
[M+K]+ 273.14227 153.4
[M+H-H2O]+ 217.17637 137.6
[M+HCOO]- 279.17731 159.8
[M+CH3COO]- 293.19296 196.2
[M+Na-2H]- 255.15378 151.4
[M]+ 234.17856 141.1
[M]- 234.17966 141.1
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

No patent data available for this compound.