CID 57496422

1187055-81-7

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

199
Patents

222.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15001 147.2
[M+Na]+ 245.13195 158.4
[M+NH4]+ 240.17655 158.3
[M+K]+ 261.10589 151.7
[M-H]- 221.13545 152.7
[M+Na-2H]- 243.11740 154.0
[M]+ 222.14218 150.7
[M]- 222.14328 150.7
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