CID 145874752

1449522-62-6

Structural Information

Molecular Formula
C13H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(CCC2)C(=O)OC
InChI
InChI=1S/C13H21BO4/c1-12(2)13(3,4)18-14(17-12)10-8-6-7-9(10)11(15)16-5/h6-8H2,1-5H3
InChIKey
FYYQTIXVEZANCC-UHFFFAOYSA-N
Compound name
methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16057 152.0
[M+Na]+ 275.14251 160.1
[M-H]- 251.14601 160.4
[M+NH4]+ 270.18711 174.4
[M+K]+ 291.11645 161.4
[M+H-H2O]+ 235.15055 149.5
[M+HCOO]- 297.15149 171.8
[M+CH3COO]- 311.16714 193.2
[M+Na-2H]- 273.12796 154.6
[M]+ 252.15274 155.9
[M]- 252.15384 155.9
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

No patent data available for this compound.