CID 4198746

4-(cyclopropylmethoxy)benzeneboronic acid

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: 127
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]+	193.103056	136.2
[M+Na]+	215.084998	144.5
[M-H]-	191.088504	141.3
[M+NH4]+	210.129603	149.7
[M+K]+	231.058938	141.4
[M+H-H2O]+	175.093040	130.1
[M+HCOO]-	237.093981	157.6
[M+CH3COO]-	251.109631	181.6
[M+Na-2H]-	213.070446	141.6
[M]+	192.09523142	138.5
[M]-	192.09632858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe