CID 469901

4013-96-1

Structural Information

Molecular Formula

C₁₀H₂₄N₂

SMILES

CCC(C)NCCNC(C)CC

InChI

InChI=1S/C10H24N2/c1-5-9(3)11-7-8-12-10(4)6-2/h9-12H,5-8H2,1-4H3

InChIKey

MLUUZUJIIRYWBJ-UHFFFAOYSA-N

Compound name

N,N'-di(butan-2-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 172.19395 Da
Monoisotopic Mass: 2.0
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	146.9
[M+Na]+	195.18317	150.2
[M-H]-	171.18667	146.4
[M+NH4]+	190.22777	166.7
[M+K]+	211.15711	149.8
[M+H-H2O]+	155.19121	140.9
[M+HCOO]-	217.19215	169.3
[M+CH3COO]-	231.20780	190.7
[M+Na-2H]-	193.16862	149.5
[M]+	172.19340	146.6
[M]-	172.19450	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe