CID 102354235

497959-43-0

Structural Information

Molecular Formula
C12H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=O)CC2)C
InChI
InChI=1S/C12H19BO3/c1-8-9(6-7-10(8)14)13-15-11(2,3)12(4,5)16-13/h6-7H2,1-5H3
InChIKey
XMYCQNIQHWDRTP-UHFFFAOYSA-N
Compound name
2-methyl-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

8
Patents

222.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15001 142.2
[M+Na]+ 245.13195 152.1
[M-H]- 221.13545 151.2
[M+NH4]+ 240.17655 166.3
[M+K]+ 261.10589 152.5
[M+H-H2O]+ 205.13999 140.2
[M+HCOO]- 267.14093 163.3
[M+CH3COO]- 281.15658 189.1
[M+Na-2H]- 243.11740 146.0
[M]+ 222.14218 145.5
[M]- 222.14328 145.5
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