CID 21183180

3-allyloxyphenylboronic acid

Structural Information

Molecular Formula
C9H11BO3
SMILES
B(C1=CC(=CC=C1)OCC=C)(O)O
InChI
InChI=1S/C9H11BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h2-5,7,11-12H,1,6H2
InChIKey
YUJCSDZSQSVVBO-UHFFFAOYSA-N
Compound name
(3-prop-2-enoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

178.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08740 137.0
[M+Na]+ 201.06934 148.4
[M+NH4]+ 196.11394 144.3
[M+K]+ 217.04328 143.2
[M-H]- 177.07284 137.4
[M+Na-2H]- 199.05479 142.3
[M]+ 178.07957 138.5
[M]- 178.08067 138.5
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

patents stripe