CID 155819752

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2h-pyran-2-one

Structural Information

Molecular Formula
C11H15BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=COC2=O
InChI
InChI=1S/C11H15BO4/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3
InChIKey
RORFENUVCGAQGH-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 150.8
[M-H]- 221.09906 150.1
[M+NH4]+ 240.14016 160.9
[M+K]+ 261.06950 153.0
[M+H-H2O]+ 205.10360 136.6
[M+HCOO]- 267.10454 161.5
[M+CH3COO]- 281.12019 186.9
[M+Na-2H]- 243.08101 148.7
[M]+ 222.10579 145.5
[M]- 222.10689 145.5
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

No patent data available for this compound.