CID 10197988

1153547-94-4

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CC(C1=NC=C(N1)C2=CC=CC=C2)N

InChI

InChI=1S/C11H13N3/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H,13,14)

InChIKey

XQFMQMXJXWTGON-UHFFFAOYSA-N

Compound name

1-(5-phenyl-1H-imidazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 187.11095 Da
Monoisotopic Mass: 1.0
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	141.6
[M+Na]+	210.10017	153.6
[M+NH4]+	205.14477	149.7
[M+K]+	226.07411	149.4
[M-H]-	186.10367	144.6
[M+Na-2H]-	208.08562	149.4
[M]+	187.11040	144.0
[M]-	187.11150	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe