CID 20134827

3-(2-aminoethyl)aniline

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1=CC(=CC(=C1)N)CCN

InChI

InChI=1S/C8H12N2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5,9-10H2

InChIKey

LJQFYBCLMVVNAQ-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 323
Patents: 136.10005 Da
Monoisotopic Mass: 0.4
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]+	137.10733	127.6
[M+Na]+	159.08927	139.0
[M+NH4]+	154.13387	136.7
[M+K]+	175.06321	132.7
[M-H]-	135.09277	131.3
[M+Na-2H]-	157.07472	134.9
[M]+	136.09950	130.1
[M]-	136.10060	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe