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

76
Patents

152.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07175 128.1
[M+Na]+ 175.05369 136.3
[M-H]- 151.05719 128.5
[M+NH4]+ 170.09829 147.6
[M+K]+ 191.02763 134.1
[M+H-H2O]+ 135.06173 123.6
[M+HCOO]- 197.06267 148.2
[M+CH3COO]- 211.07832 169.2
[M+Na-2H]- 173.03914 132.9
[M]+ 152.06392 126.5
[M]- 152.06502 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