CID 173215

N-(3-aminopropyl)octanamide

Structural Information

Molecular Formula

C₁₁H₂₄N₂O

SMILES

CCCCCCCC(=O)NCCCN

InChI

InChI=1S/C11H24N2O/c1-2-3-4-5-6-8-11(14)13-10-7-9-12/h2-10,12H2,1H3,(H,13,14)

InChIKey

AZGZCTUTODQNFW-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)octanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 200.18886 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]+	201.19614	150.9
[M+Na]+	223.17808	157.8
[M+NH4]+	218.22268	157.2
[M+K]+	239.15202	151.9
[M-H]-	199.18158	150.6
[M+Na-2H]-	221.16353	152.6
[M]+	200.18831	151.3
[M]-	200.18941	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe