CID 1388989

2-((4-methoxyphenyl)imino)-1-pyrrolidineacetamide monohydrochloride

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

COC1=CC=C(C=C1)N=C2CCCN2CC(=O)N

InChI

InChI=1S/C13H17N3O2/c1-18-11-6-4-10(5-7-11)15-13-3-2-8-16(13)9-12(14)17/h4-7H,2-3,8-9H2,1H3,(H2,14,17)

InChIKey

SZJLBGJDIHWDDB-UHFFFAOYSA-N

Compound name

2-[2-(4-methoxyphenyl)iminopyrrolidin-1-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 247.13208 Da
Monoisotopic Mass: 0.5
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]+	248.139356	155.9
[M+Na]+	270.121298	161.5
[M-H]-	246.124804	161.9
[M+NH4]+	265.165903	173.2
[M+K]+	286.095238	159.2
[M+H-H2O]+	230.129340	147.5
[M+HCOO]-	292.130281	180.0
[M+CH3COO]-	306.145931	198.9
[M+Na-2H]-	268.106746	157.8
[M]+	247.13153142	154.0
[M]-	247.13262858	154.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.