CID 2214094

1-pyrrolidineacetamide, n-(phenylmethyl)-

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

C1CCN(C1)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O/c16-13(11-15-8-4-5-9-15)14-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,14,16)

InChIKey

LMRGURFWGRDIIQ-UHFFFAOYSA-N

Compound name

N-benzyl-2-pyrrolidin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 6
Patents: 218.1419 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]+	219.14918	152.4
[M+Na]+	241.13112	162.4
[M+NH4]+	236.17572	160.5
[M+K]+	257.10506	157.4
[M-H]-	217.13462	155.6
[M+Na-2H]-	239.11657	159.0
[M]+	218.14135	154.4
[M]-	218.14245	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe