CID 75591

4,4'-isopropylidenedianiline

Structural Information

Molecular Formula

C₁₅H₁₈N₂

SMILES

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

InChI

InChI=1S/C15H18N2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10H,16-17H2,1-2H3

InChIKey

ZYEDGEXYGKWJPB-UHFFFAOYSA-N

Compound name

4-[2-(4-aminophenyl)propan-2-yl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15205
Patents: 226.147 Da
Monoisotopic Mass: 2.7
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]+	227.154276	152.9
[M+Na]+	249.136218	159.8
[M-H]-	225.139724	159.0
[M+NH4]+	244.180823	170.2
[M+K]+	265.110158	155.4
[M+H-H2O]+	209.144260	145.9
[M+HCOO]-	271.145201	176.2
[M+CH3COO]-	285.160851	196.3
[M+Na-2H]-	247.121666	158.4
[M]+	226.14645142	149.3
[M]-	226.14754858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe