CID 18616914

(2-hydroxy-4-methylphenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
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

No literature data available for this compound.

Patent stripe

patents stripe