CID 57087702

4-(aminomethyl)-n-propylaniline

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCCNC1=CC=C(C=C1)CN

InChI

InChI=1S/C10H16N2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,12H,2,7-8,11H2,1H3

InChIKey

SQFBJLJLNYEIJL-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-N-propylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 164.13135 Da
Monoisotopic Mass: 1.7
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]+	165.13863	136.7
[M+Na]+	187.12057	148.0
[M+NH4]+	182.16517	145.6
[M+K]+	203.09451	140.9
[M-H]-	163.12407	140.5
[M+Na-2H]-	185.10602	144.0
[M]+	164.13080	139.3
[M]-	164.13190	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe