CID 210110

20984-62-7

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

C1CN(CC1NC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C11H15N3O/c12-11(15)14-7-6-10(8-14)13-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H2,12,15)

InChIKey

KHKRVTOBRQDCOU-UHFFFAOYSA-N

Compound name

3-anilinopyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.1215 Da
Monoisotopic Mass: 1.0
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]+	206.12878	145.1
[M+Na]+	228.11072	150.0
[M-H]-	204.11422	149.7
[M+NH4]+	223.15532	163.2
[M+K]+	244.08466	147.3
[M+H-H2O]+	188.11876	137.1
[M+HCOO]-	250.11970	168.0
[M+CH3COO]-	264.13535	187.9
[M+Na-2H]-	226.09617	148.3
[M]+	205.12095	139.5
[M]-	205.12205	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe