CID 252488

N-cyclopentylacetoacetamide

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CC(=O)CC(=O)NC1CCCC1

InChI

InChI=1S/C9H15NO2/c1-7(11)6-9(12)10-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,10,12)

InChIKey

FRSZNJZKRMQMOU-UHFFFAOYSA-N

Compound name

N-cyclopentyl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 169.11028 Da
Monoisotopic Mass: 1.2
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]+	170.11756	139.6
[M+Na]+	192.09950	144.0
[M-H]-	168.10300	142.4
[M+NH4]+	187.14410	161.0
[M+K]+	208.07344	143.4
[M+H-H2O]+	152.10754	133.8
[M+HCOO]-	214.10848	161.7
[M+CH3COO]-	228.12413	180.2
[M+Na-2H]-	190.08495	141.3
[M]+	169.10973	136.6
[M]-	169.11083	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe