CID 46702952

1227664-17-6

Structural Information

Molecular Formula
C12H17BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(OC=C2)C(=O)OC
InChI
InChI=1S/C12H17BO5/c1-11(2)12(3,4)18-13(17-11)8-6-7-16-9(8)10(14)15-5/h6-7H,1-5H3
InChIKey
RZJXQVYEUUCEMH-UHFFFAOYSA-N
Compound name
methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1169 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12418 148.4
[M+Na]+ 275.10612 157.9
[M-H]- 251.10962 158.0
[M+NH4]+ 270.15072 169.5
[M+K]+ 291.08006 160.8
[M+H-H2O]+ 235.11416 146.4
[M+HCOO]- 297.11510 169.2
[M+CH3COO]- 311.13075 192.4
[M+Na-2H]- 273.09157 153.5
[M]+ 252.11635 155.5
[M]- 252.11745 155.5
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

No patent data available for this compound.