CID 66822876

1370008-65-3

Structural Information

Molecular Formula
C11H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=O)CC2
InChI
InChI=1S/C11H17BO3/c1-10(2)11(3,4)15-12(14-10)8-5-6-9(13)7-8/h7H,5-6H2,1-4H3
InChIKey
CGTGLMSBJLJNCL-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

208.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13436 142.1
[M+Na]+ 231.11630 152.4
[M+NH4]+ 226.16090 153.0
[M+K]+ 247.09024 148.1
[M-H]- 207.11980 146.8
[M+Na-2H]- 229.10175 148.3
[M]+ 208.12653 145.1
[M]- 208.12763 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