CID 3049430

64693-34-1

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

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

InChI

InChI=1S/C9H14N2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7H,6,10-11H2,1H3

InChIKey

UXAZIFYAGDKABZ-UHFFFAOYSA-N

Compound name

4-(2-aminopropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 130
Patents: 150.11569 Da
Monoisotopic Mass: 1.1
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]+	151.122966	133.2
[M+Na]+	173.104908	139.6
[M-H]-	149.108414	136.0
[M+NH4]+	168.149513	153.5
[M+K]+	189.078848	137.4
[M+H-H2O]+	133.112950	127.2
[M+HCOO]-	195.113891	157.5
[M+CH3COO]-	209.129541	181.7
[M+Na-2H]-	171.090356	137.8
[M]+	150.11514142	129.3
[M]-	150.11623858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe