CID 57668810

(3,5-diethylphenyl)boronic acid

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

18
Patents

178.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.123796 138.2
[M+Na]+ 201.105738 145.6
[M-H]- 177.109244 139.4
[M+NH4]+ 196.150343 157.5
[M+K]+ 217.079678 143.0
[M+H-H2O]+ 161.113780 133.1
[M+HCOO]- 223.114721 158.7
[M+CH3COO]- 237.130371 178.7
[M+Na-2H]- 199.091186 141.9
[M]+ 178.11597142 138.1
[M]- 178.11706858 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