CID 317204

54569-86-7

Structural Information

Molecular Formula

C₁₆H₁₃NO₂

SMILES

C1CC2(C(O2)C3=CC=NC=C3)C(=O)C4=CC=CC=C41

InChI

InChI=1S/C16H13NO2/c18-14-13-4-2-1-3-11(13)5-8-16(14)15(19-16)12-6-9-17-10-7-12/h1-4,6-7,9-10,15H,5,8H2

InChIKey

HRRSYOHGEGUQGA-UHFFFAOYSA-N

Compound name

3'-pyridin-4-ylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2
Patents: 251.09464 Da
Monoisotopic Mass: 2.1
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]+	252.101916	160.1
[M+Na]+	274.083858	170.7
[M-H]-	250.087364	169.6
[M+NH4]+	269.128463	172.8
[M+K]+	290.057798	167.9
[M+H-H2O]+	234.091900	151.4
[M+HCOO]-	296.092841	179.0
[M+CH3COO]-	310.108491	172.1
[M+Na-2H]-	272.069306	168.4
[M]+	251.09409142	161.6
[M]-	251.09518858	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe