CID 106463

2,5-diethoxy-4-(1-pyrrolidinyl)aniline

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂

SMILES

CCOC1=CC(=C(C=C1N)OCC)N2CCCC2

InChI

InChI=1S/C14H22N2O2/c1-3-17-13-10-12(16-7-5-6-8-16)14(18-4-2)9-11(13)15/h9-10H,3-8,15H2,1-2H3

InChIKey

WFUPCNOZIBGAOF-UHFFFAOYSA-N

Compound name

2,5-diethoxy-4-pyrrolidin-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 250.16812 Da
Monoisotopic Mass: 2.5
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]+	251.175396	158.9
[M+Na]+	273.157338	165.1
[M-H]-	249.160844	163.6
[M+NH4]+	268.201943	176.2
[M+K]+	289.131278	162.4
[M+H-H2O]+	233.165380	151.0
[M+HCOO]-	295.166321	180.7
[M+CH3COO]-	309.181971	197.0
[M+Na-2H]-	271.142786	159.8
[M]+	250.16757142	158.7
[M]-	250.16866858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe