CID 155820975

4,4,5,5-tetramethyl-2-[4-(oxan-2-yloxy)but-1-yn-1-yl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C#CCCOC2CCCCO2
InChI
InChI=1S/C15H25BO4/c1-14(2)15(3,4)20-16(19-14)10-6-8-12-18-13-9-5-7-11-17-13/h13H,5,7-9,11-12H2,1-4H3
InChIKey
DHSJIWYEPZRBMJ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(oxan-2-yloxy)but-1-ynyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.19188 154.4
[M+Na]+ 303.17382 163.4
[M-H]- 279.17732 160.0
[M+NH4]+ 298.21842 170.5
[M+K]+ 319.14776 161.2
[M+H-H2O]+ 263.18186 143.9
[M+HCOO]- 325.18280 165.5
[M+CH3COO]- 339.19845 203.0
[M+Na-2H]- 301.15927 158.7
[M]+ 280.18405 151.1
[M]- 280.18515 151.1
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.