CID 19438630

N-(4-aminobutyl)-n-methylaniline

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CN(CCCCN)C1=CC=CC=C1

InChI

InChI=1S/C11H18N2/c1-13(10-6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10,12H2,1H3

InChIKey

JLEMNVMHZPEHBM-UHFFFAOYSA-N

Compound name

N'-methyl-N'-phenylbutane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 178.147 Da
Monoisotopic Mass: 1.8
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]+	179.15428	141.7
[M+Na]+	201.13622	146.6
[M-H]-	177.13972	145.6
[M+NH4]+	196.18082	161.5
[M+K]+	217.11016	145.2
[M+H-H2O]+	161.14426	134.7
[M+HCOO]-	223.14520	167.5
[M+CH3COO]-	237.16085	189.9
[M+Na-2H]-	199.12167	147.5
[M]+	178.14645	141.0
[M]-	178.14755	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe