CID 2737195

682802-92-2

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

C1CN(CCN1)CC2OCCO2

InChI

InChI=1S/C8H16N2O2/c1-3-10(4-2-9-1)7-8-11-5-6-12-8/h8-9H,1-7H2

InChIKey

SVNRBBGYRRYAMG-UHFFFAOYSA-N

Compound name

1-(1,3-dioxolan-2-ylmethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 172.12119 Da
Monoisotopic Mass: -0.8
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]+	173.12847	138.6
[M+Na]+	195.11041	142.1
[M-H]-	171.11391	140.8
[M+NH4]+	190.15501	153.7
[M+K]+	211.08435	142.7
[M+H-H2O]+	155.11845	130.8
[M+HCOO]-	217.11939	152.8
[M+CH3COO]-	231.13504	149.4
[M+Na-2H]-	193.09586	142.9
[M]+	172.12064	132.3
[M]-	172.12174	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe