CID 12185907

1-(pyrrolidine-1-carbonyl)-1h-imidazole

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

C1CCN(C1)C(=O)N2C=CN=C2

InChI

InChI=1S/C8H11N3O/c12-8(10-4-1-2-5-10)11-6-3-9-7-11/h3,6-7H,1-2,4-5H2

InChIKey

YBPINTMQGHQDDN-UHFFFAOYSA-N

Compound name

imidazol-1-yl(pyrrolidin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 165.09021 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]+	166.09749	135.7
[M+Na]+	188.07943	142.6
[M-H]-	164.08293	138.2
[M+NH4]+	183.12403	155.2
[M+K]+	204.05337	141.7
[M+H-H2O]+	148.08747	127.0
[M+HCOO]-	210.08841	156.2
[M+CH3COO]-	224.10406	174.1
[M+Na-2H]-	186.06488	138.1
[M]+	165.08966	132.8
[M]-	165.09076	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe