CID 55255302

(e)-(2-methylstyryl)boronic acid

Structural Information

Molecular Formula
C9H11BO2
SMILES
B(/C=C/C1=CC=CC=C1C)(O)O
InChI
InChI=1S/C9H11BO2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7,11-12H,1H3/b7-6+
InChIKey
JRTMWGSJUIVSRX-VOTSOKGWSA-N
Compound name
[(E)-2-(2-methylphenyl)ethenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

162.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09248 134.1
[M+Na]+ 185.07442 146.0
[M+NH4]+ 180.11902 142.0
[M+K]+ 201.04836 140.3
[M-H]- 161.07792 135.0
[M+Na-2H]- 183.05987 139.8
[M]+ 162.08465 135.8
[M]- 162.08575 135.8
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