CID 2773478

3-isopropylphenylboronic acid

Structural Information

Molecular Formula
C9H13BO2
SMILES
B(C1=CC(=CC=C1)C(C)C)(O)O
InChI
InChI=1S/C9H13BO2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7,11-12H,1-2H3
InChIKey
QSWLFBMVIGQONC-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1131
Patents

164.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10814 134.7
[M+Na]+ 187.09008 146.3
[M+NH4]+ 182.13468 142.8
[M+K]+ 203.06402 141.5
[M-H]- 163.09358 135.7
[M+Na-2H]- 185.07553 140.3
[M]+ 164.10031 136.5
[M]- 164.10141 136.5
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