CID 57668810

(3,5-diethylphenyl)boronicacid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

178.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12380 138.2
[M+Na]+ 201.10574 145.6
[M-H]- 177.10924 139.4
[M+NH4]+ 196.15034 157.5
[M+K]+ 217.07968 143.0
[M+H-H2O]+ 161.11378 133.1
[M+HCOO]- 223.11472 158.7
[M+CH3COO]- 237.13037 178.7
[M+Na-2H]- 199.09119 141.9
[M]+ 178.11597 138.1
[M]- 178.11707 138.1
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