CID 57416212

5,5-dimethyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one

Structural Information

Molecular Formula
C14H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=O)CC(C2)(C)C
InChI
InChI=1S/C14H23BO3/c1-12(2)8-10(7-11(16)9-12)15-17-13(3,4)14(5,6)18-15/h7H,8-9H2,1-6H3
InChIKey
CHCPOPVEQVWOHT-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

250.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.18131 147.8
[M+Na]+ 273.16325 157.1
[M-H]- 249.16675 156.6
[M+NH4]+ 268.20785 171.0
[M+K]+ 289.13719 157.8
[M+H-H2O]+ 233.17129 145.1
[M+HCOO]- 295.17223 166.1
[M+CH3COO]- 309.18788 195.1
[M+Na-2H]- 271.14870 153.2
[M]+ 250.17348 150.2
[M]- 250.17458 150.2
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

patents stripe