CID 137945761

2-(3-ethylbicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)CC
InChI
InChI=1S/C13H23BO2/c1-6-12-7-13(8-12,9-12)14-15-10(2,3)11(4,5)16-14/h6-9H2,1-5H3
InChIKey
BVQIXVTUURFGHS-UHFFFAOYSA-N
Compound name
2-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18639 155.2
[M+Na]+ 245.16833 159.8
[M-H]- 221.17183 162.5
[M+NH4]+ 240.21293 163.2
[M+K]+ 261.14227 165.2
[M+H-H2O]+ 205.17637 146.8
[M+HCOO]- 267.17731 165.8
[M+CH3COO]- 281.19296 216.2
[M+Na-2H]- 243.15378 161.7
[M]+ 222.17856 182.1
[M]- 222.17966 182.1
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.