CID 44119812

871329-71-4

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

28
Patents

126.04882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05610 123.2
[M+Na]+ 149.03804 132.4
[M+NH4]+ 144.08264 130.7
[M+K]+ 165.01198 130.6
[M-H]- 125.04154 122.5
[M+Na-2H]- 147.02349 126.6
[M]+ 126.04827 123.9
[M]- 126.04937 123.9
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

patents stripe