CID 38684

Azolimine

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CN1C(=O)CN(C1=N)C2=CC=CC=C2

InChI

InChI=1S/C10H11N3O/c1-12-9(14)7-13(10(12)11)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3

InChIKey

KPMDCTAAOGEIKO-UHFFFAOYSA-N

Compound name

2-imino-3-methyl-1-phenylimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 362
Patents: 189.09021 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]+	190.09749	140.0
[M+Na]+	212.07943	148.7
[M-H]-	188.08293	144.5
[M+NH4]+	207.12403	158.6
[M+K]+	228.05337	145.3
[M+H-H2O]+	172.08747	132.2
[M+HCOO]-	234.08841	162.6
[M+CH3COO]-	248.10406	184.5
[M+Na-2H]-	210.06488	143.9
[M]+	189.08966	137.1
[M]-	189.09076	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe