CID 4198746

411229-67-9

Structural Information

Molecular Formula

C₁₀H₁₃BO₃

SMILES

B(C1=CC=C(C=C1)OCC2CC2)(O)O

InChI

InChI=1S/C10H13BO3/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8,12-13H,1-2,7H2

InChIKey

AYJVDOMUBHORKK-UHFFFAOYSA-N

Compound name

[4-(cyclopropylmethoxy)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 192.09578 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]+	193.10306	142.4
[M+Na]+	215.08500	155.1
[M+NH4]+	210.12960	150.8
[M+K]+	231.05894	151.3
[M-H]-	191.08850	151.3
[M+Na-2H]-	213.07045	151.1
[M]+	192.09523	147.7
[M]-	192.09633	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe