CID 89283440

(2-ethyl-4,6-dimethylphenyl)boronic acid

Structural Information

Molecular Formula
C10H15BO2
SMILES
B(C1=C(C=C(C=C1CC)C)C)(O)O
InChI
InChI=1S/C10H15BO2/c1-4-9-6-7(2)5-8(3)10(9)11(12)13/h5-6,12-13H,4H2,1-3H3
InChIKey
RBDVFVYOPFWZTR-UHFFFAOYSA-N
Compound name
(2-ethyl-4,6-dimethylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12380 138.4
[M+Na]+ 201.10574 150.8
[M+NH4]+ 196.15034 146.4
[M+K]+ 217.07968 145.4
[M-H]- 177.10924 139.7
[M+Na-2H]- 199.09119 143.6
[M]+ 178.11597 140.4
[M]- 178.11707 140.4
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