CID 793954

1-benzoyl-n-cyano-2-pyrrolidinimine

Structural Information

Molecular Formula

C₁₂H₁₁N₃O

SMILES

C1CC(=NC#N)N(C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H11N3O/c13-9-14-11-7-4-8-15(11)12(16)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2

InChIKey

RTDIEACDIPBELC-UHFFFAOYSA-N

Compound name

(1-benzoylpyrrolidin-2-ylidene)cyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 213.09021 Da
Monoisotopic Mass: 1.6
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]+	214.09749	149.9
[M+Na]+	236.07943	158.3
[M-H]-	212.08293	154.7
[M+NH4]+	231.12403	166.6
[M+K]+	252.05337	154.0
[M+H-H2O]+	196.08747	134.9
[M+HCOO]-	258.08841	169.6
[M+CH3COO]-	272.10406	200.3
[M+Na-2H]-	234.06488	152.8
[M]+	213.08966	142.3
[M]-	213.09076	142.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.