CID 82727

N-ethyl-1,3-propanediamine

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

CCNCCCN

InChI

InChI=1S/C5H14N2/c1-2-7-5-3-4-6/h7H,2-6H2,1H3

InChIKey

ODGYWRBCQWKSSH-UHFFFAOYSA-N

Compound name

N'-ethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5017
Patents: 102.1157 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]+	103.12298	122.3
[M+Na]+	125.10492	128.2
[M-H]-	101.10842	122.1
[M+NH4]+	120.14952	144.7
[M+K]+	141.07886	127.8
[M+H-H2O]+	85.112960	117.2
[M+HCOO]-	147.11390	147.7
[M+CH3COO]-	161.12955	173.1
[M+Na-2H]-	123.09037	129.2
[M]+	102.11515	120.5
[M]-	102.11625	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe