CID 79577

5459-95-0

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CCN(CC)CCCNC

InChI

InChI=1S/C8H20N2/c1-4-10(5-2)8-6-7-9-3/h9H,4-8H2,1-3H3

InChIKey

SMJVVYQWUFKTKZ-UHFFFAOYSA-N

Compound name

N',N'-diethyl-N-methylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 969
Patents: 144.16264 Da
Monoisotopic Mass: 0.9
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]+	145.169916	136.3
[M+Na]+	167.151858	141.1
[M-H]-	143.155364	137.6
[M+NH4]+	162.196463	158.0
[M+K]+	183.125798	141.7
[M+H-H2O]+	127.159900	130.5
[M+HCOO]-	189.160841	161.9
[M+CH3COO]-	203.176491	186.5
[M+Na-2H]-	165.137306	141.9
[M]+	144.16209142	138.0
[M]-	144.16318858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe