CID 2733267

2-methylphenylboronic acid

Structural Information

Molecular Formula
C7H9BO2
SMILES
B(C1=CC=CC=C1C)(O)O
InChI
InChI=1S/C7H9BO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5,9-10H,1H3
InChIKey
NSJVYHOPHZMZPN-UHFFFAOYSA-N
Compound name
(2-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7938
Patents

136.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07684 125.5
[M+Na]+ 159.05878 137.8
[M+NH4]+ 154.10338 134.0
[M+K]+ 175.03272 132.7
[M-H]- 135.06228 126.8
[M+Na-2H]- 157.04423 132.0
[M]+ 136.06901 127.5
[M]- 136.07011 127.5
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