CID 2773478

3-isopropylbenzeneboronic 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

1277
Patents

164.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.108136 134.3
[M+Na]+ 187.090078 140.9
[M-H]- 163.093584 135.4
[M+NH4]+ 182.134683 153.8
[M+K]+ 203.064018 139.1
[M+H-H2O]+ 147.098120 129.3
[M+HCOO]- 209.099061 154.1
[M+CH3COO]- 223.114711 175.4
[M+Na-2H]- 185.075526 138.0
[M]+ 164.10031142 132.8
[M]- 164.10140858 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

No literature data available for this compound.

Patent stripe

patents stripe