CID 7408

1-phenylethanamine

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CC(C1=CC=CC=C1)N

InChI

InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3

InChIKey

RQEUFEKYXDPUSK-UHFFFAOYSA-N

Compound name

1-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 215
References: 54724
Patents: 121.08915 Da
Monoisotopic Mass: 1.2
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]+	122.09643	124.4
[M+Na]+	144.07837	136.7
[M+NH4]+	139.12297	134.1
[M+K]+	160.05231	130.2
[M-H]-	120.08187	127.8
[M+Na-2H]-	142.06382	132.4
[M]+	121.08860	127.0
[M]-	121.08970	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe