CID 40429057

62478-82-4

Structural Information

Molecular Formula

C₉H₂₂N₂

SMILES

CCN(CC)CCCN(C)C

InChI

InChI=1S/C9H22N2/c1-5-11(6-2)9-7-8-10(3)4/h5-9H2,1-4H3

InChIKey

NVPUVLBCRYPSIO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 279
Patents: 158.1783 Da
Monoisotopic Mass: 1.4
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]+	159.185576	141.2
[M+Na]+	181.167518	145.8
[M-H]-	157.171024	143.9
[M+NH4]+	176.212123	163.1
[M+K]+	197.141458	147.6
[M+H-H2O]+	141.175560	135.0
[M+HCOO]-	203.176501	167.0
[M+CH3COO]-	217.192151	193.1
[M+Na-2H]-	179.152966	145.5
[M]+	158.17775142	144.6
[M]-	158.17884858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe