CID 132398730

(2-cyanofuran-3-yl)boronic acid

Structural Information

Molecular Formula
C5H4BNO3
SMILES
B(C1=C(OC=C1)C#N)(O)O
InChI
InChI=1S/C5H4BNO3/c7-3-5-4(6(8)9)1-2-10-5/h1-2,8-9H
InChIKey
BRPUUCAGKWCQFK-UHFFFAOYSA-N
Compound name
(2-cyanofuran-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.02843 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03571 125.0
[M+Na]+ 160.01765 134.8
[M+NH4]+ 155.06225 128.9
[M+K]+ 175.99159 130.1
[M-H]- 136.02115 118.5
[M+Na-2H]- 158.00310 126.6
[M]+ 137.02788 123.5
[M]- 137.02898 123.5
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

No patent data available for this compound.