CID 165604380

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C13H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(=O)C23CCC3
InChI
InChI=1S/C13H21BO3/c1-11(2)12(3,4)17-14(16-11)9-8-10(15)13(9)6-5-7-13/h9H,5-8H2,1-4H3
InChIKey
OHEYIACEJMOCJN-UHFFFAOYSA-N
Compound name
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.16565 135.4
[M+Na]+ 259.14759 140.8
[M-H]- 235.15109 145.4
[M+NH4]+ 254.19219 145.6
[M+K]+ 275.12153 146.2
[M+H-H2O]+ 219.15563 126.9
[M+HCOO]- 281.15657 151.0
[M+CH3COO]- 295.17222 202.6
[M+Na-2H]- 257.13304 141.0
[M]+ 236.15782 153.1
[M]- 236.15892 153.1
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.