CID 82334

10061-68-4

Structural Information

Molecular Formula

C₇H₁₈N₂

SMILES

CCNCCCNCC

InChI

InChI=1S/C7H18N2/c1-3-8-6-5-7-9-4-2/h8-9H,3-7H2,1-2H3

InChIKey

BEPGHZIEOVULBU-UHFFFAOYSA-N

Compound name

N,N'-diethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2496
Patents: 130.147 Da
Monoisotopic Mass: 0.5
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]+	131.15428	130.0
[M+Na]+	153.13622	138.8
[M+NH4]+	148.18082	138.2
[M+K]+	169.11016	132.5
[M-H]-	129.13972	131.1
[M+Na-2H]-	151.12167	134.3
[M]+	130.14645	131.3
[M]-	130.14755	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe