CID 119082933

(5-methylfuran-3-yl)boronic acid

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

7
Patents

126.04882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.056096 121.0
[M+Na]+ 149.038038 129.4
[M-H]- 125.041544 123.2
[M+NH4]+ 144.082643 142.5
[M+K]+ 165.011978 129.6
[M+H-H2O]+ 109.046080 116.8
[M+HCOO]- 171.047021 143.1
[M+CH3COO]- 185.062671 164.5
[M+Na-2H]- 147.023486 126.9
[M]+ 126.04827142 121.4
[M]- 126.04936858 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