CID 11984428

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

Structural Information

Molecular Formula
C13H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CCCC(=O)C2)C
InChI
InChI=1S/C13H23BO3/c1-11(2)12(3,4)17-14(16-11)13(5)8-6-7-10(15)9-13/h6-9H2,1-5H3
InChIKey
HOQQJIYRSKNVGW-UHFFFAOYSA-N
Compound name
3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

238.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18131 147.1
[M+Na]+ 261.16325 154.8
[M-H]- 237.16675 155.2
[M+NH4]+ 256.20785 170.3
[M+K]+ 277.13719 155.8
[M+H-H2O]+ 221.17129 144.1
[M+HCOO]- 283.17223 164.2
[M+CH3COO]- 297.18788 191.3
[M+Na-2H]- 259.14870 152.4
[M]+ 238.17348 147.2
[M]- 238.17458 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe