CID 6421522

Proxyfan

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

C1=CC=C(C=C1)COCCCC2=CN=CN2

InChI

InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)

InChIKey

WNWALBVQAAIULR-UHFFFAOYSA-N

Compound name

5-(3-phenylmethoxypropyl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 32
References: 830
Patents: 216.12627 Da
Monoisotopic Mass: 2.1
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]+	217.13355	150.5
[M+Na]+	239.11549	163.1
[M+NH4]+	234.16009	158.4
[M+K]+	255.08943	157.2
[M-H]-	215.11899	152.9
[M+Na-2H]-	237.10094	158.6
[M]+	216.12572	152.9
[M]-	216.12682	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe