CID 6457215

3-[2-(1h-imidazol-1-yl)ethoxy]benzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C12H12N2O2/c15-9-11-2-1-3-12(8-11)16-7-6-14-5-4-13-10-14/h1-5,8-10H,6-7H2

InChIKey

BUWXMDPRTUPZIM-UHFFFAOYSA-N

Compound name

3-(2-imidazol-1-ylethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 216.08987 Da
Monoisotopic Mass: 1.3
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]+	217.097146	146.0
[M+Na]+	239.079088	154.5
[M-H]-	215.082594	150.1
[M+NH4]+	234.123693	163.4
[M+K]+	255.053028	151.5
[M+H-H2O]+	199.087130	137.4
[M+HCOO]-	261.088071	169.8
[M+CH3COO]-	275.103721	185.6
[M+Na-2H]-	237.064536	151.8
[M]+	216.08932142	148.6
[M]-	216.09041858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe