CID 4374262

2-(hydroxymethyl)phenylboronic acid

Structural Information

Molecular Formula
C7H9BO3
SMILES
B(C1=CC=CC=C1CO)(O)O
InChI
InChI=1S/C7H9BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9-11H,5H2
InChIKey
AFHOBSCDNXGFMO-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1277
Patents

152.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07175 128.7
[M+Na]+ 175.05369 135.9
[M-H]- 151.05719 128.6
[M+NH4]+ 170.09829 147.9
[M+K]+ 191.02763 133.6
[M+H-H2O]+ 135.06173 123.9
[M+HCOO]- 197.06267 148.8
[M+CH3COO]- 211.07832 168.0
[M+Na-2H]- 173.03914 134.2
[M]+ 152.06392 126.6
[M]- 152.06502 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe