CID 18437832

(2,6-diethylphenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
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

literature stripe

Patent stripe

patents stripe