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

212
Patents

208.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13436 139.2
[M+Na]+ 231.11630 148.5
[M-H]- 207.11980 147.9
[M+NH4]+ 226.16090 163.5
[M+K]+ 247.09024 149.3
[M+H-H2O]+ 191.12434 136.9
[M+HCOO]- 253.12528 160.6
[M+CH3COO]- 267.14093 184.9
[M+Na-2H]- 229.10175 143.9
[M]+ 208.12653 141.7
[M]- 208.12763 141.7
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