CID 2773477

2-isopropylbenzeneboronic acid

Structural Information

Molecular Formula
C9H13BO2
SMILES
B(C1=CC=CC=C1C(C)C)(O)O
InChI
InChI=1S/C9H13BO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,11-12H,1-2H3
InChIKey
KTZUVUWIBZMHMC-UHFFFAOYSA-N
Compound name
(2-propan-2-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1015
Patents

164.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10814 134.3
[M+Na]+ 187.09008 140.9
[M-H]- 163.09358 135.4
[M+NH4]+ 182.13468 153.8
[M+K]+ 203.06402 139.1
[M+H-H2O]+ 147.09812 129.3
[M+HCOO]- 209.09906 154.1
[M+CH3COO]- 223.11471 175.4
[M+Na-2H]- 185.07553 138.0
[M]+ 164.10031 132.8
[M]- 164.10141 132.8
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