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]+ 237.165646 135.4
[M+Na]+ 259.147588 140.8
[M-H]- 235.151094 145.4
[M+NH4]+ 254.192193 145.6
[M+K]+ 275.121528 146.2
[M+H-H2O]+ 219.155630 126.9
[M+HCOO]- 281.156571 151.0
[M+CH3COO]- 295.172221 202.6
[M+Na-2H]- 257.133036 141.0
[M]+ 236.15782142 153.1
[M]- 236.15891858 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.