CID 70456

N,n-diethyloctanamide

Structural Information

Molecular Formula

C₁₂H₂₅NO

SMILES

CCCCCCCC(=O)N(CC)CC

InChI

InChI=1S/C12H25NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4-11H2,1-3H3

InChIKey

FHJRFIYKPIXQNQ-UHFFFAOYSA-N

Compound name

N,N-diethyloctanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 491
Patents: 199.19362 Da
Monoisotopic Mass: 3.5
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]+	200.20090	153.0
[M+Na]+	222.18284	157.2
[M-H]-	198.18634	153.8
[M+NH4]+	217.22744	172.9
[M+K]+	238.15678	157.1
[M+H-H2O]+	182.19088	147.0
[M+HCOO]-	244.19182	175.8
[M+CH3COO]-	258.20747	194.9
[M+Na-2H]-	220.16829	155.0
[M]+	199.19307	157.1
[M]-	199.19417	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe