CID 165979402

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

Structural Information

Molecular Formula
C11H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(=O)C2C
InChI
InChI=1S/C11H19BO3/c1-7-8(6-9(7)13)12-14-10(2,3)11(4,5)15-12/h7-8H,6H2,1-5H3
InChIKey
LQNPQAFRRJIPLZ-UHFFFAOYSA-N
Compound name
2-methyl-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

210.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15001 136.0
[M+Na]+ 233.13195 143.8
[M-H]- 209.13545 144.8
[M+NH4]+ 228.17655 152.4
[M+K]+ 249.10589 147.6
[M+H-H2O]+ 193.13999 129.8
[M+HCOO]- 255.14093 154.8
[M+CH3COO]- 269.15658 191.2
[M+Na-2H]- 231.11740 140.9
[M]+ 210.14218 147.6
[M]- 210.14328 147.6
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.