CID 61011

104-78-9

Structural Information

Molecular Formula

C₇H₁₈N₂

SMILES

CCN(CC)CCCN

InChI

InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3

InChIKey

QOHMWDJIBGVPIF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 12
References: 34347
Patents: 130.147 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]+	131.154276	132.0
[M+Na]+	153.136218	137.3
[M-H]-	129.139724	133.0
[M+NH4]+	148.180823	154.0
[M+K]+	169.110158	137.8
[M+H-H2O]+	113.144260	126.4
[M+HCOO]-	175.145201	157.3
[M+CH3COO]-	189.160851	182.7
[M+Na-2H]-	151.121666	137.1
[M]+	130.14645142	132.3
[M]-	130.14754858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe