CID 146049519

2222867-16-3

Structural Information

Molecular Formula
C15H28B2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CC2)B3OC(C(O3)(C)C)(C)C
InChI
InChI=1S/C15H28B2O4/c1-11(2)12(3,4)19-16(18-11)15(9-10-15)17-20-13(5,6)14(7,8)21-17/h9-10H2,1-8H3
InChIKey
OUHIEGPVHJOPPE-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

294.21738 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22466 145.4
[M+Na]+ 317.20660 156.0
[M-H]- 293.21010 158.8
[M+NH4]+ 312.25120 164.3
[M+K]+ 333.18054 162.3
[M+H-H2O]+ 277.21464 146.9
[M+HCOO]- 339.21558 159.2
[M+CH3COO]- 353.23123 205.5
[M+Na-2H]- 315.19205 153.5
[M]+ 294.21683 155.6
[M]- 294.21793 155.6
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