CID 2771771

65709-24-2

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1CNC(CN1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H14N2O2/c1-2-10-11(15-7-14-10)5-8(1)9-6-12-3-4-13-9/h1-2,5,9,12-13H,3-4,6-7H2

InChIKey

IFBLQYWVJXGZPY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 206.10553 Da
Monoisotopic Mass: 0.5
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]+	207.112806	144.0
[M+Na]+	229.094748	149.5
[M-H]-	205.098254	146.5
[M+NH4]+	224.139353	158.4
[M+K]+	245.068688	147.4
[M+H-H2O]+	189.102790	136.4
[M+HCOO]-	251.103731	157.1
[M+CH3COO]-	265.119381	154.7
[M+Na-2H]-	227.080196	149.4
[M]+	206.10498142	137.8
[M]-	206.10607858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe