CID 24859892

1010840-17-1

Structural Information

Molecular Formula
C14H24B2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C#CB2OC(C(O2)(C)C)(C)C
InChI
InChI=1S/C14H24B2O4/c1-11(2)12(3,4)18-15(17-11)9-10-16-19-13(5,6)14(7,8)20-16/h1-8H3
InChIKey
FABDBLONUBCKBB-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.18607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19335 138.9
[M+Na]+ 301.17529 152.5
[M-H]- 277.17879 146.7
[M+NH4]+ 296.21989 159.8
[M+K]+ 317.14923 150.5
[M+H-H2O]+ 261.18333 132.7
[M+HCOO]- 323.18427 151.4
[M+CH3COO]- 337.19992 205.0
[M+Na-2H]- 299.16074 145.9
[M]+ 278.18552 140.2
[M]- 278.18662 140.2
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