CID 89867

54628-21-6

Structural Information

Molecular Formula

C₁₆H₂₀N₂

SMILES

CC1=C(C=CC(=C1)N)CCC2=C(C=C(C=C2)N)C

InChI

InChI=1S/C16H20N2/c1-11-9-15(17)7-5-13(11)3-4-14-6-8-16(18)10-12(14)2/h5-10H,3-4,17-18H2,1-2H3

InChIKey

ISESBQNCWCFFFR-UHFFFAOYSA-N

Compound name

4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 797
Patents: 240.16264 Da
Monoisotopic Mass: 3.5
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]+	241.16992	158.4
[M+Na]+	263.15186	172.3
[M+NH4]+	258.19646	167.4
[M+K]+	279.12580	164.0
[M-H]-	239.15536	164.8
[M+Na-2H]-	261.13731	167.1
[M]+	240.16209	162.3
[M]-	240.16319	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe