CID 21091620

3-(2-hydroxyethyl)benzeneboronic acid

Structural Information

Molecular Formula
C8H11BO3
SMILES
B(C1=CC(=CC=C1)CCO)(O)O
InChI
InChI=1S/C8H11BO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10-12H,4-5H2
InChIKey
GCSYFWQBJAJDGY-UHFFFAOYSA-N
Compound name
[3-(2-hydroxyethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

166.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08740 133.3
[M+Na]+ 189.06934 140.1
[M-H]- 165.07284 133.1
[M+NH4]+ 184.11394 151.9
[M+K]+ 205.04328 137.6
[M+H-H2O]+ 149.07738 128.3
[M+HCOO]- 211.07832 153.1
[M+CH3COO]- 225.09397 171.0
[M+Na-2H]- 187.05479 138.2
[M]+ 166.07957 131.6
[M]- 166.08067 131.6
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