CID 18617005

259209-21-7

Structural Information

Molecular Formula
C7H9BO3
SMILES
B(C1=C(C=CC(=C1)C)O)(O)O
InChI
InChI=1S/C7H9BO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9-11H,1H3
InChIKey
OJSKCZZLOSEKPH-UHFFFAOYSA-N
Compound name
(2-hydroxy-5-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

152.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071746 128.1
[M+Na]+ 175.053688 136.3
[M-H]- 151.057194 128.5
[M+NH4]+ 170.098293 147.6
[M+K]+ 191.027628 134.1
[M+H-H2O]+ 135.061730 123.6
[M+HCOO]- 197.062671 148.2
[M+CH3COO]- 211.078321 169.2
[M+Na-2H]- 173.039136 132.9
[M]+ 152.06392142 126.5
[M]- 152.06501858 126.5
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