CID 5942507

Ethyl 4-boronocinnamate

Structural Information

Molecular Formula
C11H13BO4
SMILES
B(C1=CC=C(C=C1)/C=C/C(=O)OCC)(O)O
InChI
InChI=1S/C11H13BO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8,14-15H,2H2,1H3/b8-5+
InChIKey
OVNZUEJWYIMMSW-VMPITWQZSA-N
Compound name
[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

220.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09796 148.5
[M+Na]+ 243.07990 158.7
[M+NH4]+ 238.12450 154.4
[M+K]+ 259.05384 154.3
[M-H]- 219.08340 147.8
[M+Na-2H]- 241.06535 152.3
[M]+ 220.09013 149.4
[M]- 220.09123 149.4
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

No patent data available for this compound.