CID 61533767

[3-(2-propoxyethoxy)phenyl]boronic acid

Structural Information

Molecular Formula
C11H17BO4
SMILES
B(C1=CC(=CC=C1)OCCOCCC)(O)O
InChI
InChI=1S/C11H17BO4/c1-2-6-15-7-8-16-11-5-3-4-10(9-11)12(13)14/h3-5,9,13-14H,2,6-8H2,1H3
InChIKey
SIULMRRBOHEBJE-UHFFFAOYSA-N
Compound name
[3-(2-propoxyethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12928 149.4
[M+Na]+ 247.11122 155.1
[M-H]- 223.11472 149.9
[M+NH4]+ 242.15582 166.3
[M+K]+ 263.08516 153.4
[M+H-H2O]+ 207.11926 143.2
[M+HCOO]- 269.12020 169.9
[M+CH3COO]- 283.13585 184.7
[M+Na-2H]- 245.09667 153.2
[M]+ 224.12145 152.1
[M]- 224.12255 152.1
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.