CID 165592151

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

Structural Information

Molecular Formula
C13H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CC(=O)C2(C)C)C
InChI
InChI=1S/C13H23BO3/c1-10(2)9(15)8-13(10,7)14-16-11(3,4)12(5,6)17-14/h8H2,1-7H3
InChIKey
WQSAGWSCNIJHIN-UHFFFAOYSA-N
Compound name
2,2,3-trimethyl-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

238.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18131 139.6
[M+Na]+ 261.16325 148.5
[M-H]- 237.16675 148.9
[M+NH4]+ 256.20785 158.8
[M+K]+ 277.13719 152.0
[M+H-H2O]+ 221.17129 136.0
[M+HCOO]- 283.17223 157.8
[M+CH3COO]- 297.18788 197.0
[M+Na-2H]- 259.14870 146.6
[M]+ 238.17348 153.0
[M]- 238.17458 153.0
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.