CID 119082933

1146616-02-5

Structural Information

Molecular Formula
C5H7BO3
SMILES
B(C1=COC(=C1)C)(O)O
InChI
InChI=1S/C5H7BO3/c1-4-2-5(3-9-4)6(7)8/h2-3,7-8H,1H3
InChIKey
NEEMMKCUAKEXJF-UHFFFAOYSA-N
Compound name
(5-methylfuran-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

126.04882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05610 121.0
[M+Na]+ 149.03804 129.4
[M-H]- 125.04154 123.2
[M+NH4]+ 144.08264 142.5
[M+K]+ 165.01198 129.6
[M+H-H2O]+ 109.04608 116.8
[M+HCOO]- 171.04702 143.1
[M+CH3COO]- 185.06267 164.5
[M+Na-2H]- 147.02349 126.9
[M]+ 126.04827 121.4
[M]- 126.04937 121.4
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