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

138
Patents

196.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09796 140.1
[M+Na]+ 219.07990 146.7
[M-H]- 195.08340 141.0
[M+NH4]+ 214.12450 158.1
[M+K]+ 235.05384 145.5
[M+H-H2O]+ 179.08794 134.3
[M+HCOO]- 241.08888 161.3
[M+CH3COO]- 255.10453 178.7
[M+Na-2H]- 217.06535 145.0
[M]+ 196.09013 142.1
[M]- 196.09123 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