CID 10219621

1-phenethylimidazole

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1=CC=C(C=C1)CCN2C=CN=C2

InChI

InChI=1S/C11H12N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-5,7,9-10H,6,8H2

InChIKey

SSENHTOBLYRWKU-UHFFFAOYSA-N

Compound name

1-(2-phenylethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 440
Patents: 172.10005 Da
Monoisotopic Mass: 1.9
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]+	173.10733	136.0
[M+Na]+	195.08927	144.0
[M-H]-	171.09277	139.9
[M+NH4]+	190.13387	155.2
[M+K]+	211.06321	140.8
[M+H-H2O]+	155.09731	127.7
[M+HCOO]-	217.09825	159.6
[M+CH3COO]-	231.11390	149.4
[M+Na-2H]-	193.07472	143.2
[M]+	172.09950	135.9
[M]-	172.10060	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe