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
1
Annotation Hits

2
References

6194
Patents

136.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07684 124.8
[M+Na]+ 159.05878 132.6
[M-H]- 135.06228 126.3
[M+NH4]+ 154.10338 145.5
[M+K]+ 175.03272 130.8
[M+H-H2O]+ 119.06682 120.2
[M+HCOO]- 181.06776 146.3
[M+CH3COO]- 195.08341 168.4
[M+Na-2H]- 157.04423 130.9
[M]+ 136.06901 123.2
[M]- 136.07011 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