CID 253236

3-oxo-n-(3-phenylpropyl)butanamide

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CC(=O)CC(=O)NCCCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO2/c1-11(15)10-13(16)14-9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,14,16)

InChIKey

XXOBEWUNERKREQ-UHFFFAOYSA-N

Compound name

3-oxo-N-(3-phenylpropyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 615
Patents: 219.12593 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]+	220.13321	151.9
[M+Na]+	242.11515	162.2
[M+NH4]+	237.15975	159.0
[M+K]+	258.08909	156.0
[M-H]-	218.11865	153.4
[M+Na-2H]-	240.10060	157.4
[M]+	219.12538	153.5
[M]-	219.12648	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe