CID 4983344

2-butyl-2-ethyl-1,5-pentanediamine

Structural Information

Molecular Formula

C₁₁H₂₆N₂

SMILES

CCCCC(CC)(CCCN)CN

InChI

InChI=1S/C11H26N2/c1-3-5-7-11(4-2,10-13)8-6-9-12/h3-10,12-13H2,1-2H3

InChIKey

NDXNCTAJOQSKIO-UHFFFAOYSA-N

Compound name

2-butyl-2-ethylpentane-1,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3019
Patents: 186.2096 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]+	187.21688	150.1
[M+Na]+	209.19882	153.9
[M-H]-	185.20232	148.5
[M+NH4]+	204.24342	169.0
[M+K]+	225.17276	152.0
[M+H-H2O]+	169.20686	144.5
[M+HCOO]-	231.20780	171.4
[M+CH3COO]-	245.22345	191.1
[M+Na-2H]-	207.18427	153.3
[M]+	186.20905	149.0
[M]-	186.21015	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe