CID 3018228

N-ethoxypropane-1,3-diamine

Structural Information

Molecular Formula

C₅H₁₄N₂O

SMILES

CCONCCCN

InChI

InChI=1S/C5H14N2O/c1-2-8-7-5-3-4-6/h7H,2-6H2,1H3

InChIKey

NWVPYCZIOIVGEW-UHFFFAOYSA-N

Compound name

N'-ethoxypropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 118.11061 Da
Monoisotopic Mass: -0.4
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]+	119.117886	125.0
[M+Na]+	141.099828	130.8
[M-H]-	117.103334	124.7
[M+NH4]+	136.144433	146.7
[M+K]+	157.073768	130.9
[M+H-H2O]+	101.107870	119.7
[M+HCOO]-	163.108811	150.7
[M+CH3COO]-	177.124461	175.1
[M+Na-2H]-	139.085276	131.9
[M]+	118.11006142	124.7
[M]-	118.11115858	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe