CID 11320956

Benzylboronic acid

Structural Information

Molecular Formula
C7H9BO2
SMILES
B(CC1=CC=CC=C1)(O)O
InChI
InChI=1S/C7H9BO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChIKey
HBWDWGMBZIFBQE-UHFFFAOYSA-N
Compound name
benzylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

626
Patents

136.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07684 126.0
[M+Na]+ 159.05878 137.9
[M+NH4]+ 154.10338 134.5
[M+K]+ 175.03272 132.6
[M-H]- 135.06228 127.2
[M+Na-2H]- 157.04423 132.7
[M]+ 136.06901 127.9
[M]- 136.07011 127.9
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