CID 2733950

17933-03-8

Structural Information

Molecular Formula
C7H9BO2
SMILES
B(C1=CC(=CC=C1)C)(O)O
InChI
InChI=1S/C7H9BO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,9-10H,1H3
InChIKey
BJQCPCFFYBKRLM-UHFFFAOYSA-N
Compound name
(3-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6103
Patents

136.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.076836 124.8
[M+Na]+ 159.058778 132.6
[M-H]- 135.062284 126.3
[M+NH4]+ 154.103383 145.5
[M+K]+ 175.032718 130.8
[M+H-H2O]+ 119.066820 120.2
[M+HCOO]- 181.067761 146.3
[M+CH3COO]- 195.083411 168.4
[M+Na-2H]- 157.044226 130.9
[M]+ 136.06901142 123.2
[M]- 136.07010858 123.2
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