CID 3063352

Valeramide, n-(2-(diethylamino)ethyl)-

Structural Information

Molecular Formula

C₁₁H₂₄N₂O

SMILES

CCCCC(=O)NCCN(CC)CC

InChI

InChI=1S/C11H24N2O/c1-4-7-8-11(14)12-9-10-13(5-2)6-3/h4-10H2,1-3H3,(H,12,14)

InChIKey

AEFHIRFDRNSDRY-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 200.18886 Da
Monoisotopic Mass: 1.7
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]+	201.196136	152.6
[M+Na]+	223.178078	156.3
[M-H]-	199.181584	153.5
[M+NH4]+	218.222683	172.0
[M+K]+	239.152018	156.4
[M+H-H2O]+	183.186120	146.1
[M+HCOO]-	245.187061	176.7
[M+CH3COO]-	259.202711	196.8
[M+Na-2H]-	221.163526	155.3
[M]+	200.18831142	155.4
[M]-	200.18940858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe