CID 96169

N,n-diethyl-4-oxopentanamide

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCN(CC)C(=O)CCC(=O)C

InChI

InChI=1S/C9H17NO2/c1-4-10(5-2)9(12)7-6-8(3)11/h4-7H2,1-3H3

InChIKey

VDRYTURBQHVHLA-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-oxopentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 171.12593 Da
Monoisotopic Mass: 0.0
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]+	172.13321	140.5
[M+Na]+	194.11515	148.9
[M+NH4]+	189.15975	147.2
[M+K]+	210.08909	144.6
[M-H]-	170.11865	139.6
[M+Na-2H]-	192.10060	142.9
[M]+	171.12538	141.0
[M]-	171.12648	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe