CID 16427138

3-ethylphenylboronic acid

Structural Information

Molecular Formula
C8H11BO2
SMILES
B(C1=CC(=CC=C1)CC)(O)O
InChI
InChI=1S/C8H11BO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6,10-11H,2H2,1H3
InChIKey
JIMVRUCDZGFJRE-UHFFFAOYSA-N
Compound name
(3-ethylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

409
Patents

150.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09248 130.0
[M+Na]+ 173.07442 142.1
[M+NH4]+ 168.11902 138.4
[M+K]+ 189.04836 136.8
[M-H]- 149.07792 131.3
[M+Na-2H]- 171.05987 136.2
[M]+ 150.08465 132.0
[M]- 150.08575 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe