CID 81603

7173-57-1

Structural Information

Molecular Formula

C₁₁H₂₆N₂

SMILES

CCCCCCCCNCCCN

InChI

InChI=1S/C11H26N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-12H2,1H3

InChIKey

KPZNJYFFUWANHA-UHFFFAOYSA-N

Compound name

N'-octylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 254
Patents: 186.2096 Da
Monoisotopic Mass: 2.6
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	147.7
[M+Na]+	209.19882	155.3
[M+NH4]+	204.24342	155.0
[M+K]+	225.17276	148.3
[M-H]-	185.20232	148.4
[M+Na-2H]-	207.18427	150.5
[M]+	186.20905	148.6
[M]-	186.21015	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe