CID 16414199

1055881-23-6

Structural Information

Molecular Formula
C11H15BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(OC=C2)C=O
InChI
InChI=1S/C11H15BO4/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(8)7-13/h5-7H,1-4H3
InChIKey
PYPDEWSBYDJVFU-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

222.10634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11362 142.3
[M+Na]+ 245.09556 153.4
[M+NH4]+ 240.14016 152.6
[M+K]+ 261.06950 149.8
[M-H]- 221.09906 148.0
[M+Na-2H]- 243.08101 148.6
[M]+ 222.10579 145.8
[M]- 222.10689 145.8
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