CID 77629

4013-95-0

Structural Information

Molecular Formula

C₁₀H₂₄N₂

SMILES

CCCCNCCNCCCC

InChI

InChI=1S/C10H24N2/c1-3-5-7-11-9-10-12-8-6-4-2/h11-12H,3-10H2,1-2H3

InChIKey

YRGVKPIUZUOJSJ-UHFFFAOYSA-N

Compound name

N,N'-dibutylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 955
Patents: 172.19395 Da
Monoisotopic Mass: 2.4
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]+	173.20123	143.4
[M+Na]+	195.18317	151.5
[M+NH4]+	190.22777	151.1
[M+K]+	211.15711	144.4
[M-H]-	171.18667	144.3
[M+Na-2H]-	193.16862	146.9
[M]+	172.19340	144.5
[M]-	172.19450	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe