CID 53217215

1111096-29-7

Structural Information

Molecular Formula
C12H17BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CO2)C(=O)OC
InChI
InChI=1S/C12H17BO5/c1-11(2)12(3,4)18-13(17-11)9-6-8(7-16-9)10(14)15-5/h6-7H,1-5H3
InChIKey
RAMMMHGDFUIABW-UHFFFAOYSA-N
Compound name
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

252.1169 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12418 149.9
[M+Na]+ 275.10612 159.9
[M+NH4]+ 270.15072 159.3
[M+K]+ 291.08006 157.5
[M-H]- 251.10962 154.8
[M+Na-2H]- 273.09157 155.1
[M]+ 252.11635 152.9
[M]- 252.11745 152.9
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