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]+ 239.181306 139.6
[M+Na]+ 261.163248 148.5
[M-H]- 237.166754 148.9
[M+NH4]+ 256.207853 158.8
[M+K]+ 277.137188 152.0
[M+H-H2O]+ 221.171290 136.0
[M+HCOO]- 283.172231 157.8
[M+CH3COO]- 297.187881 197.0
[M+Na-2H]- 259.148696 146.6
[M]+ 238.17348142 153.0
[M]- 238.17457858 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.