CID 16217852

3,4-ethylenedioxypyrrole

Structural Information

Molecular Formula

SMILES

C1COC2=CNC=C2O1

InChI

InChI=1S/C6H7NO2/c1-2-9-6-4-7-3-5(6)8-1/h3-4,7H,1-2H2

InChIKey

IJAMAMPVPZBIQX-UHFFFAOYSA-N

Compound name

3,6-dihydro-2H-[1,4]dioxino[2,3-c]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 802
Patents: 125.047676 Da
Monoisotopic Mass: 0.4
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]+	126.05495	120.0
[M+Na]+	148.03689	127.7
[M-H]-	124.04040	122.8
[M+NH4]+	143.08150	140.2
[M+K]+	164.01083	128.3
[M+H-H2O]+	108.04494	114.7
[M+HCOO]-	170.04588	139.1
[M+CH3COO]-	184.06153	134.0
[M+Na-2H]-	146.02234	129.6
[M]+	125.04713	118.2
[M]-	125.04822	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe