CID 45786344

4,4,5,5-tetramethyl-2-(4-methylfuran-2-yl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C11H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CO2)C
InChI
InChI=1S/C11H17BO3/c1-8-6-9(13-7-8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3
InChIKey
ODICCYCRSSGKSX-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(4-methylfuran-2-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

208.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13436 138.4
[M+Na]+ 231.11630 148.6
[M-H]- 207.11980 148.1
[M+NH4]+ 226.16090 161.5
[M+K]+ 247.09024 150.7
[M+H-H2O]+ 191.12434 136.5
[M+HCOO]- 253.12528 160.0
[M+CH3COO]- 267.14093 185.7
[M+Na-2H]- 229.10175 144.8
[M]+ 208.12653 143.7
[M]- 208.12763 143.7
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