CID 135393196

2195389-90-1

Structural Information

Molecular Formula
C17H30B2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)B4OC(C(O4)(C)C)(C)C
InChI
InChI=1S/C17H30B2O4/c1-12(2)13(3,4)21-18(20-12)16-9-17(10-16,11-16)19-22-14(5,6)15(7,8)23-19/h9-11H2,1-8H3
InChIKey
BIKNZVZSKFNDKH-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.23303 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24031 161.4
[M+Na]+ 343.22225 165.6
[M-H]- 319.22575 171.7
[M+NH4]+ 338.26685 168.7
[M+K]+ 359.19619 171.7
[M+H-H2O]+ 303.23029 157.3
[M+HCOO]- 365.23123 168.9
[M+CH3COO]- 379.24688 229.2
[M+Na-2H]- 341.20770 167.3
[M]+ 320.23248 189.6
[M]- 320.23358 189.6
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

patents stripe