CID 16414199

3-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde

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 140.2
[M+Na]+ 245.09556 150.5
[M-H]- 221.09906 149.9
[M+NH4]+ 240.14016 162.6
[M+K]+ 261.06950 152.6
[M+H-H2O]+ 205.10360 138.3
[M+HCOO]- 267.10454 162.2
[M+CH3COO]- 281.12019 187.1
[M+Na-2H]- 243.08101 146.8
[M]+ 222.10579 146.3
[M]- 222.10689 146.3
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