CID 74443

N-phenethylaniline

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

C1=CC=C(C=C1)CCNC2=CC=CC=C2

InChI

InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-10,15H,11-12H2

InChIKey

REUFZACIJMPYOK-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 731
Patents: 197.12045 Da
Monoisotopic Mass: 3.9
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]+	198.12773	145.4
[M+Na]+	220.10967	160.2
[M+NH4]+	215.15427	155.7
[M+K]+	236.08361	150.8
[M-H]-	196.11317	151.9
[M+Na-2H]-	218.09512	156.9
[M]+	197.11990	149.5
[M]-	197.12100	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe