CID 88062

19435-68-8

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CCNCCCCNCC

InChI

InChI=1S/C8H20N2/c1-3-9-7-5-6-8-10-4-2/h9-10H,3-8H2,1-2H3

InChIKey

WHDUKLPCKZTPFY-UHFFFAOYSA-N

Compound name

N,N'-diethylbutane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1045
Patents: 144.16264 Da
Monoisotopic Mass: 0.8
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]+	145.16992	135.6
[M+Na]+	167.15186	140.2
[M-H]-	143.15536	135.4
[M+NH4]+	162.19646	156.6
[M+K]+	183.12580	139.4
[M+H-H2O]+	127.15990	129.9
[M+HCOO]-	189.16084	160.7
[M+CH3COO]-	203.17649	183.0
[M+Na-2H]-	165.13731	142.0
[M]+	144.16209	136.0
[M]-	144.16319	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe