CID 44324

Aziridine, 1-(2-naphthoyl)-

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

C1CN1C(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C13H11NO/c15-13(14-7-8-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2

InChIKey

BRQKCXRFVLZIPZ-UHFFFAOYSA-N

Compound name

aziridin-1-yl(naphthalen-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 197.08406 Da
Monoisotopic Mass: 3.0
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]+	198.091336	144.4
[M+Na]+	220.073278	154.5
[M-H]-	196.076784	151.4
[M+NH4]+	215.117883	158.6
[M+K]+	236.047218	150.2
[M+H-H2O]+	180.081320	136.7
[M+HCOO]-	242.082261	166.3
[M+CH3COO]-	256.097911	157.2
[M+Na-2H]-	218.058726	151.9
[M]+	197.08351142	146.3
[M]-	197.08460858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe