CID 19882554

1266694-41-0

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CNCC1C2=CC3=C(C=C2)OCO3

InChI

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

InChIKey

HZVSXGNTMOKANQ-UHFFFAOYSA-N

Compound name

3-(1,3-benzodioxol-5-yl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 191.09464 Da
Monoisotopic Mass: 1.5
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	140.1
[M+Na]+	214.08386	151.3
[M+NH4]+	209.12846	149.2
[M+K]+	230.05780	149.6
[M-H]-	190.08736	145.4
[M+Na-2H]-	212.06931	144.4
[M]+	191.09409	143.0
[M]-	191.09519	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe