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

3
Annotation Hits: 1
References: 2493
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]+	131.154276	131.1
[M+Na]+	153.136218	136.1
[M-H]-	129.139724	131.0
[M+NH4]+	148.180823	152.7
[M+K]+	169.110158	135.6
[M+H-H2O]+	113.144260	125.6
[M+HCOO]-	175.145201	156.5
[M+CH3COO]-	189.160851	179.9
[M+Na-2H]-	151.121666	138.0
[M]+	130.14645142	131.1
[M]-	130.14754858	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe