CID 21831845

5728-70-1

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H15N/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2,15H2,1H3

InChIKey

NMCSKBJWADPKPK-UHFFFAOYSA-N

Compound name

4-(4-ethylphenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 197.12045 Da
Monoisotopic Mass: 3.6
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	144.8
[M+Na]+	220.10967	160.1
[M+NH4]+	215.15427	154.9
[M+K]+	236.08361	151.2
[M-H]-	196.11317	151.2
[M+Na-2H]-	218.09512	155.4
[M]+	197.11990	149.0
[M]-	197.12100	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe