CID 165762121

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-oxaspiro[3.4]octan-1-one

Structural Information

Molecular Formula
C13H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(=O)C23CCOC3
InChI
InChI=1S/C13H21BO4/c1-11(2)12(3,4)18-14(17-11)9-7-10(15)13(9)5-6-16-8-13/h9H,5-8H2,1-4H3
InChIKey
FGJQHBIEQLFFOG-UHFFFAOYSA-N
Compound name
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-oxaspiro[3.4]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16057 141.8
[M+Na]+ 275.14251 148.5
[M-H]- 251.14601 152.8
[M+NH4]+ 270.18711 158.6
[M+K]+ 291.11645 152.8
[M+H-H2O]+ 235.15055 137.4
[M+HCOO]- 297.15149 158.5
[M+CH3COO]- 311.16714 195.4
[M+Na-2H]- 273.12796 147.2
[M]+ 252.15274 152.5
[M]- 252.15384 152.5
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.