CID 44119812

5-oxocyclopent-1-ene-1-boronic acid

Structural Information

Molecular Formula
C5H7BO3
SMILES
B(C1=CCCC1=O)(O)O
InChI
InChI=1S/C5H7BO3/c7-5-3-1-2-4(5)6(8)9/h2,8-9H,1,3H2
InChIKey
LEMUMNFZUFSWGV-UHFFFAOYSA-N
Compound name
(5-oxocyclopenten-1-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

126.04882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05610 122.0
[M+Na]+ 149.03804 129.6
[M-H]- 125.04154 123.2
[M+NH4]+ 144.08264 144.5
[M+K]+ 165.01198 128.5
[M+H-H2O]+ 109.04608 117.7
[M+HCOO]- 171.04702 143.7
[M+CH3COO]- 185.06267 164.0
[M+Na-2H]- 147.02349 125.8
[M]+ 126.04827 119.5
[M]- 126.04937 119.5
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