CID 519668

N-butylethylenediamine

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CCCCNCCN

InChI

InChI=1S/C6H16N2/c1-2-3-5-8-6-4-7/h8H,2-7H2,1H3

InChIKey

DFPGBRPWDZFIPP-UHFFFAOYSA-N

Compound name

N'-butylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2700
Patents: 116.13135 Da
Monoisotopic Mass: 0.1
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]+	117.138626	126.8
[M+Na]+	139.120568	132.3
[M-H]-	115.124074	126.4
[M+NH4]+	134.165173	148.7
[M+K]+	155.094508	131.6
[M+H-H2O]+	99.128610	121.6
[M+HCOO]-	161.129551	151.9
[M+CH3COO]-	175.145201	176.2
[M+Na-2H]-	137.106016	133.2
[M]+	116.13080142	125.4
[M]-	116.13189858	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe