CID 18379504

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

Structural Information

Molecular Formula
C9H13BO4
SMILES
B(C1=CC(=CC=C1)OCCOC)(O)O
InChI
InChI=1S/C9H13BO4/c1-13-5-6-14-9-4-2-3-8(7-9)10(11)12/h2-4,7,11-12H,5-6H2,1H3
InChIKey
PHWVCYOXHJROPI-UHFFFAOYSA-N
Compound name
[3-(2-methoxyethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

196.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097956 140.1
[M+Na]+ 219.079898 146.7
[M-H]- 195.083404 141.0
[M+NH4]+ 214.124503 158.1
[M+K]+ 235.053838 145.5
[M+H-H2O]+ 179.087940 134.3
[M+HCOO]- 241.088881 161.3
[M+CH3COO]- 255.104531 178.7
[M+Na-2H]- 217.065346 145.0
[M]+ 196.09013142 142.1
[M]- 196.09122858 142.1
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

patents stripe