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

1
Annotation Hits: 0
References: 262
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]+	159.18558	141.2
[M+Na]+	181.16752	145.8
[M-H]-	157.17102	143.9
[M+NH4]+	176.21212	163.1
[M+K]+	197.14146	147.6
[M+H-H2O]+	141.17556	135.0
[M+HCOO]-	203.17650	167.0
[M+CH3COO]-	217.19215	193.1
[M+Na-2H]-	179.15297	145.5
[M]+	158.17775	144.6
[M]-	158.17885	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe