CID 28300922

1135-26-8

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

CN(C)CCCOC1=CC=CC(=C1)N

InChI

InChI=1S/C11H18N2O/c1-13(2)7-4-8-14-11-6-3-5-10(12)9-11/h3,5-6,9H,4,7-8,12H2,1-2H3

InChIKey

HYNCMEQKRXCLEF-UHFFFAOYSA-N

Compound name

3-[3-(dimethylamino)propoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 194.1419 Da
Monoisotopic Mass: 1.3
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]+	195.14918	144.7
[M+Na]+	217.13112	150.6
[M-H]-	193.13462	149.1
[M+NH4]+	212.17572	164.2
[M+K]+	233.10506	149.7
[M+H-H2O]+	177.13916	137.8
[M+HCOO]-	239.14010	170.8
[M+CH3COO]-	253.15575	193.1
[M+Na-2H]-	215.11657	149.9
[M]+	194.14135	145.9
[M]-	194.14245	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe