CID 21941696

3-[2-(pyrrolidin-1-yl)ethoxy]aniline

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

C1CCN(C1)CCOC2=CC=CC(=C2)N

InChI

InChI=1S/C12H18N2O/c13-11-4-3-5-12(10-11)15-9-8-14-6-1-2-7-14/h3-5,10H,1-2,6-9,13H2

InChIKey

YJDXLUSVVAGFFS-UHFFFAOYSA-N

Compound name

3-(2-pyrrolidin-1-ylethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 206.1419 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]+	207.14918	146.7
[M+Na]+	229.13112	152.0
[M-H]-	205.13462	150.9
[M+NH4]+	224.17572	165.2
[M+K]+	245.10506	149.2
[M+H-H2O]+	189.13916	138.7
[M+HCOO]-	251.14010	169.0
[M+CH3COO]-	265.15575	186.6
[M+Na-2H]-	227.11657	150.0
[M]+	206.14135	143.5
[M]-	206.14245	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe