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: 105
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]+	151.12297	132.8
[M+Na]+	173.10491	143.7
[M+NH4]+	168.14951	141.6
[M+K]+	189.07885	137.8
[M-H]-	149.10841	136.2
[M+Na-2H]-	171.09036	139.4
[M]+	150.11514	135.1
[M]-	150.11624	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe