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

3
Annotation Hits: 1
References: 6346
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]+	187.21688	148.3
[M+Na]+	209.19882	156.1
[M+NH4]+	204.24342	155.9
[M+K]+	225.17276	149.5
[M-H]-	185.20232	149.3
[M+Na-2H]-	207.18427	151.2
[M]+	186.20905	149.4
[M]-	186.21015	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe