CID 1626

102-83-0

Structural Information

Molecular Formula

C₁₁H₂₆N₂

SMILES

CCCCN(CCCC)CCCN

InChI

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

InChIKey

KYCGURZGBKFEQB-UHFFFAOYSA-N

Compound name

N',N'-dibutylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 5761
Patents: 186.2096 Da
Monoisotopic Mass: 2.2
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]+	187.216876	150.3
[M+Na]+	209.198818	153.9
[M-H]-	185.202324	150.5
[M+NH4]+	204.243423	170.1
[M+K]+	225.172758	153.3
[M+H-H2O]+	169.206860	143.9
[M+HCOO]-	231.207801	174.3
[M+CH3COO]-	245.223451	194.9
[M+Na-2H]-	207.184266	153.2
[M]+	186.20905142	152.1
[M]-	186.21014858	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe