CID 5195236

2-(1h-imidazol-1-yl)-1-phenylethanamine

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1=CC=C(C=C1)C(CN2C=CN=C2)N

InChI

InChI=1S/C11H13N3/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10/h1-7,9,11H,8,12H2

InChIKey

NYQHWEIQMDYXSR-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 27
Patents: 187.11095 Da
Monoisotopic Mass: 0.9
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]+	188.11823	141.4
[M+Na]+	210.10017	153.5
[M+NH4]+	205.14477	149.7
[M+K]+	226.07411	148.8
[M-H]-	186.10367	144.7
[M+Na-2H]-	208.08562	150.0
[M]+	187.11040	143.9
[M]-	187.11150	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe