CID 584557

24476-94-6

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CNCC12OC3=CC=CC=C3O2

InChI

InChI=1S/C10H11NO2/c1-2-4-9-8(3-1)12-10(13-9)5-6-11-7-10/h1-4,11H,5-7H2

InChIKey

OUJKSHSWNVQPCI-UHFFFAOYSA-N

Compound name

spiro[1,3-benzodioxole-2,3'-pyrrolidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.07898 Da
Monoisotopic Mass: 1.3
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]+	178.08626	134.7
[M+Na]+	200.06820	142.7
[M-H]-	176.07170	139.9
[M+NH4]+	195.11280	156.7
[M+K]+	216.04214	141.9
[M+H-H2O]+	160.07624	129.6
[M+HCOO]-	222.07718	153.3
[M+CH3COO]-	236.09283	148.2
[M+Na-2H]-	198.05365	141.9
[M]+	177.07843	132.3
[M]-	177.07953	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe