CID 15296546

Prolinamidoethyl imidazole

Structural Information

Molecular Formula

C₁₀H₁₆N₄O

SMILES

C1C[C@H](NC1)C(=O)NCCC2=CN=CN2

InChI

InChI=1S/C10H16N4O/c15-10(9-2-1-4-12-9)13-5-3-8-6-11-7-14-8/h6-7,9,12H,1-5H2,(H,11,14)(H,13,15)/t9-/m0/s1

InChIKey

NTSCIJOQEQIATB-VIFPVBQESA-N

Compound name

(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 72
Patents: 208.13242 Da
Monoisotopic Mass: -0.2
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]+	209.13970	147.6
[M+Na]+	231.12164	151.7
[M-H]-	207.12514	147.2
[M+NH4]+	226.16624	163.5
[M+K]+	247.09558	148.5
[M+H-H2O]+	191.12968	138.6
[M+HCOO]-	253.13062	165.5
[M+CH3COO]-	267.14627	180.4
[M+Na-2H]-	229.10709	149.0
[M]+	208.13187	141.1
[M]-	208.13297	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe