CID 25827

1-aziridinecarboxanilide

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

C1CN1C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C9H10N2O/c12-9(11-6-7-11)10-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)

InChIKey

ZYPIAZBAHRUTGU-UHFFFAOYSA-N

Compound name

N-phenylaziridine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 162.07932 Da
Monoisotopic Mass: 0.9
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]+	163.08660	134.8
[M+Na]+	185.06854	143.5
[M-H]-	161.07204	141.1
[M+NH4]+	180.11314	149.0
[M+K]+	201.04248	140.6
[M+H-H2O]+	145.07658	127.4
[M+HCOO]-	207.07752	159.3
[M+CH3COO]-	221.09317	181.3
[M+Na-2H]-	183.05399	142.5
[M]+	162.07877	135.6
[M]-	162.07987	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe