CID 165708888

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

Structural Information

Molecular Formula
C13H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CC(=O)C2(C)C
InChI
InChI=1S/C13H23BO3/c1-11(2)9(7-10(11)15)8-14-16-12(3,4)13(5,6)17-14/h9H,7-8H2,1-6H3
InChIKey
GZTBXIXCFHYHRM-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18131 142.8
[M+Na]+ 261.16325 150.7
[M-H]- 237.16675 151.7
[M+NH4]+ 256.20785 160.1
[M+K]+ 277.13719 154.2
[M+H-H2O]+ 221.17129 137.7
[M+HCOO]- 283.17223 161.0
[M+CH3COO]- 297.18788 196.9
[M+Na-2H]- 259.14870 148.2
[M]+ 238.17348 155.7
[M]- 238.17458 155.7
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.