CID 10081261

7677-96-5

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CNCCC12OC3=CC=CC=C3O2

InChI

InChI=1S/C11H13NO2/c1-2-4-10-9(3-1)13-11(14-10)5-7-12-8-6-11/h1-4,12H,5-8H2

InChIKey

QVKNICXDNWDLFN-UHFFFAOYSA-N

Compound name

spiro[1,3-benzodioxole-2,4'-piperidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 191.09464 Da
Monoisotopic Mass: 1.7
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]+	192.10192	139.0
[M+Na]+	214.08386	145.7
[M-H]-	190.08736	143.6
[M+NH4]+	209.12846	158.6
[M+K]+	230.05780	144.6
[M+H-H2O]+	174.09190	132.6
[M+HCOO]-	236.09284	155.0
[M+CH3COO]-	250.10849	151.4
[M+Na-2H]-	212.06931	147.4
[M]+	191.09409	134.7
[M]-	191.09519	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe