CID 165701515

2,2-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C12H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(=O)C2(C)C
InChI
InChI=1S/C12H21BO3/c1-10(2)8(7-9(10)14)13-15-11(3,4)12(5,6)16-13/h8H,7H2,1-6H3
InChIKey
OHQJNHVYGULKCV-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16565 138.2
[M+Na]+ 247.14759 146.5
[M-H]- 223.15109 147.3
[M+NH4]+ 242.19219 156.0
[M+K]+ 263.12153 150.2
[M+H-H2O]+ 207.15563 133.3
[M+HCOO]- 269.15657 156.7
[M+CH3COO]- 283.17222 194.1
[M+Na-2H]- 245.13304 144.1
[M]+ 224.15782 150.7
[M]- 224.15892 150.7
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.