CID 2773472

4-isobutylphenylboronic acid

Structural Information

Molecular Formula
C10H15BO2
SMILES
B(C1=CC=C(C=C1)CC(C)C)(O)O
InChI
InChI=1S/C10H15BO2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8,12-13H,7H2,1-2H3
InChIKey
YZSPHVWALUJQNK-UHFFFAOYSA-N
Compound name
[4-(2-methylpropyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

422
Patents

178.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12380 139.3
[M+Na]+ 201.10574 150.6
[M+NH4]+ 196.15034 147.2
[M+K]+ 217.07968 145.6
[M-H]- 177.10924 140.2
[M+Na-2H]- 199.09119 144.5
[M]+ 178.11597 141.0
[M]- 178.11707 141.0
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