CID 82307

10029-31-9

Structural Information

Molecular Formula

C₁₆H₂₀N₂

SMILES

CC(C)NC1=CC=C(C=C1)CC2=CC=C(C=C2)N

InChI

InChI=1S/C16H20N2/c1-12(2)18-16-9-5-14(6-10-16)11-13-3-7-15(17)8-4-13/h3-10,12,18H,11,17H2,1-2H3

InChIKey

OYZBHMQKSAYWAI-UHFFFAOYSA-N

Compound name

4-[[4-(propan-2-ylamino)phenyl]methyl]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 240.16264 Da
Monoisotopic Mass: 3.1
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	158.7
[M+Na]+	263.15186	171.8
[M+NH4]+	258.19646	167.8
[M+K]+	279.12580	163.7
[M-H]-	239.15536	165.0
[M+Na-2H]-	261.13731	168.0
[M]+	240.16209	162.4
[M]-	240.16319	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe