CID 2773472

(4-isobutylphenyl)boronic 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

491
Patents

178.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12380 139.0
[M+Na]+ 201.10574 145.2
[M-H]- 177.10924 140.0
[M+NH4]+ 196.15034 157.9
[M+K]+ 217.07968 143.1
[M+H-H2O]+ 161.11378 133.8
[M+HCOO]- 223.11472 158.5
[M+CH3COO]- 237.13037 178.4
[M+Na-2H]- 199.09119 142.2
[M]+ 178.11597 137.9
[M]- 178.11707 137.9
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