CID 57496422

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

Structural Information

Molecular Formula
C12H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=O)CCC2
InChI
InChI=1S/C12H19BO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h8H,5-7H2,1-4H3
InChIKey
GFYZIQQOKLUEAW-UHFFFAOYSA-N
Compound name
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

230
Patents

222.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15001 144.5
[M+Na]+ 245.13195 152.6
[M-H]- 221.13545 152.8
[M+NH4]+ 240.17655 166.4
[M+K]+ 261.10589 153.4
[M+H-H2O]+ 205.13999 140.7
[M+HCOO]- 267.14093 163.4
[M+CH3COO]- 281.15658 188.0
[M+Na-2H]- 243.11740 149.7
[M]+ 222.14218 145.1
[M]- 222.14328 145.1
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