CID 3967692

2-benzo[1,3]dioxol-5-yl-pyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CC(NC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H13NO2/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9,12H,1-2,5,7H2

InChIKey

RFDZPAOUCULWED-UHFFFAOYSA-N

Compound name

2-(1,3-benzodioxol-5-yl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 191.09464 Da
Monoisotopic Mass: 1.6
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]+	192.101916	139.1
[M+Na]+	214.083858	145.8
[M-H]-	190.087364	144.9
[M+NH4]+	209.128463	158.2
[M+K]+	230.057798	145.0
[M+H-H2O]+	174.091900	133.5
[M+HCOO]-	236.092841	157.3
[M+CH3COO]-	250.108491	152.0
[M+Na-2H]-	212.069306	143.6
[M]+	191.09409142	136.4
[M]-	191.09518858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe