CID 65853

Eltoprazine

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

C1CN(CCN1)C2=C3C(=CC=C2)OCCO3

InChI

InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2

InChIKey

WVLHGCRWEHCIOT-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 85
References: 1198
Patents: 220.12119 Da
Monoisotopic Mass: 1.1
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]+	221.12847	149.1
[M+Na]+	243.11041	153.5
[M-H]-	219.11391	152.3
[M+NH4]+	238.15501	161.5
[M+K]+	259.08435	152.0
[M+H-H2O]+	203.11845	139.9
[M+HCOO]-	265.11939	161.0
[M+CH3COO]-	279.13504	159.0
[M+Na-2H]-	241.09586	156.1
[M]+	220.12064	142.6
[M]-	220.12174	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe