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

6
Patents

178.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12380 137.3
[M+Na]+ 201.10574 145.7
[M-H]- 177.10924 139.0
[M+NH4]+ 196.15034 157.0
[M+K]+ 217.07968 143.2
[M+H-H2O]+ 161.11378 132.6
[M+HCOO]- 223.11472 157.8
[M+CH3COO]- 237.13037 179.9
[M+Na-2H]- 199.09119 140.4
[M]+ 178.11597 137.6
[M]- 178.11707 137.6
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