CID 117976

27431-62-5

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CCN(CC)CCCCN

InChI

InChI=1S/C8H20N2/c1-3-10(4-2)8-6-5-7-9/h3-9H2,1-2H3

InChIKey

JILXUIANNUALRZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2004
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	136.6
[M+Na]+	167.15186	141.4
[M-H]-	143.15536	137.4
[M+NH4]+	162.19646	158.1
[M+K]+	183.12580	141.7
[M+H-H2O]+	127.15990	130.8
[M+HCOO]-	189.16084	161.6
[M+CH3COO]-	203.17649	185.8
[M+Na-2H]-	165.13731	141.1
[M]+	144.16209	137.2
[M]-	144.16319	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe