CID 21646683

91054-46-5

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

C1=CC(=CC=C1CCCN)N

InChI

InChI=1S/C9H14N2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7,10-11H2

InChIKey

OMNVECQLILUEFL-UHFFFAOYSA-N

Compound name

4-(3-aminopropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 355
Patents: 150.11569 Da
Monoisotopic Mass: 0.8
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	132.2
[M+Na]+	173.104908	138.9
[M-H]-	149.108414	134.9
[M+NH4]+	168.149513	152.6
[M+K]+	189.078848	136.2
[M+H-H2O]+	133.112950	126.2
[M+HCOO]-	195.113891	157.6
[M+CH3COO]-	209.129541	180.9
[M+Na-2H]-	171.090356	138.2
[M]+	150.11514142	129.0
[M]-	150.11623858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe