CID 71099686

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

Structural Information

Molecular Formula
C11H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=COC=C2C
InChI
InChI=1S/C11H17BO3/c1-8-6-13-7-9(8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3
InChIKey
OVPVLAPRNPZCJA-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(4-methylfuran-3-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe