CID 71777992

1236862-45-5

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

C1C(=O)C2=CC=CC=C2OC13CNC3

InChI

InChI=1S/C11H11NO2/c13-9-5-11(6-12-7-11)14-10-4-2-1-3-8(9)10/h1-4,12H,5-7H2

InChIKey

FSXOWOYOGDSZJW-UHFFFAOYSA-N

Compound name

spiro[3H-chromene-2,3'-azetidine]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 189.07898 Da
Monoisotopic Mass: 0.6
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]+	190.08626	133.3
[M+Na]+	212.06820	140.4
[M-H]-	188.07170	137.8
[M+NH4]+	207.11280	146.6
[M+K]+	228.04214	141.2
[M+H-H2O]+	172.07624	122.2
[M+HCOO]-	234.07718	149.7
[M+CH3COO]-	248.09283	145.7
[M+Na-2H]-	210.05365	142.8
[M]+	189.07843	138.7
[M]-	189.07953	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe