CID 11062695

Trans-2-phenylcyclopropylboronic acid

Structural Information

Molecular Formula

C₉H₁₁BO₂

SMILES

B([C@@H]1C[C@H]1C2=CC=CC=C2)(O)O

InChI

InChI=1S/C9H11BO2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2/t8-,9+/m0/s1

InChIKey

JUMGFYYVCWOJDO-DTWKUNHWSA-N

Compound name

[(1R,2R)-2-phenylcyclopropyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 162.0852 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe