CID 44118566

957034-56-9

Structural Information

Molecular Formula

C₁₁H₁₃BN₂O₃

SMILES

B(C1=CC=C(C=C1)OCCN2C=CN=C2)(O)O

InChI

InChI=1S/C11H13BN2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9,15-16H,7-8H2

InChIKey

YRNCSPFXUDNRCS-UHFFFAOYSA-N

Compound name

[4-(2-imidazol-1-ylethoxy)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 232.10193 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]+	233.10921	151.1
[M+Na]+	255.09115	162.5
[M+NH4]+	250.13575	157.6
[M+K]+	271.06509	159.4
[M-H]-	231.09465	151.9
[M+Na-2H]-	253.07660	157.4
[M]+	232.10138	152.7
[M]-	232.10248	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe