CID 3047309

F 1419

Structural Information

Molecular Formula

C₁₆H₂₄N₂O

SMILES

CCC(C1=CC=CC=C1)C(=O)NCCN2CCCC2

InChI

InChI=1S/C16H24N2O/c1-2-15(14-8-4-3-5-9-14)16(19)17-10-13-18-11-6-7-12-18/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,17,19)

InChIKey

NQRADKZWOUSTQL-UHFFFAOYSA-N

Compound name

2-phenyl-N-(2-pyrrolidin-1-ylethyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 260.18887 Da
Monoisotopic Mass: 2.6
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]+	261.196146	165.2
[M+Na]+	283.178088	167.5
[M-H]-	259.181594	169.0
[M+NH4]+	278.222693	181.3
[M+K]+	299.152028	164.5
[M+H-H2O]+	243.186130	156.5
[M+HCOO]-	305.187071	184.9
[M+CH3COO]-	319.202721	198.3
[M+Na-2H]-	281.163536	165.6
[M]+	260.18832142	162.0
[M]-	260.18941858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe