CID 45158859

(3-cyclopropylphenyl)boronic acid

Structural Information

Molecular Formula
C9H11BO2
SMILES
B(C1=CC(=CC=C1)C2CC2)(O)O
InChI
InChI=1S/C9H11BO2/c11-10(12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7,11-12H,4-5H2
InChIKey
BFFVQXUPALEVGS-UHFFFAOYSA-N
Compound name
(3-cyclopropylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

162.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09248 134.9
[M+Na]+ 185.07442 148.3
[M+NH4]+ 180.11902 144.1
[M+K]+ 201.04836 144.3
[M-H]- 161.07792 144.4
[M+Na-2H]- 183.05987 144.4
[M]+ 162.08465 140.5
[M]- 162.08575 140.5
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