CID 2734662

[3-(hydroxymethyl)phenyl]boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2704
Patents

152.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071746 128.7
[M+Na]+ 175.053688 135.9
[M-H]- 151.057194 128.6
[M+NH4]+ 170.098293 147.9
[M+K]+ 191.027628 133.6
[M+H-H2O]+ 135.061730 123.9
[M+HCOO]- 197.062671 148.8
[M+CH3COO]- 211.078321 168.0
[M+Na-2H]- 173.039136 134.2
[M]+ 152.06392142 126.6
[M]- 152.06501858 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