CID 133674840

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

Structural Information

Molecular Formula
C10H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(=O)C2
InChI
InChI=1S/C10H17BO3/c1-9(2)10(3,4)14-11(13-9)7-5-8(12)6-7/h7H,5-6H2,1-4H3
InChIKey
BWEIXUSPEMKKBO-UHFFFAOYSA-N
Compound name
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

196.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13436 132.2
[M+Na]+ 219.11630 139.6
[M-H]- 195.11980 140.9
[M+NH4]+ 214.16090 148.9
[M+K]+ 235.09024 143.7
[M+H-H2O]+ 179.12434 125.8
[M+HCOO]- 241.12528 151.4
[M+CH3COO]- 255.14093 187.1
[M+Na-2H]- 217.10175 138.2
[M]+ 196.12653 143.2
[M]- 196.12763 143.2
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.