CID 2760435

25553-77-9

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

C1CN(CCN1)CCC2OCCO2

InChI

InChI=1S/C9H18N2O2/c1(9-12-7-8-13-9)4-11-5-2-10-3-6-11/h9-10H,1-8H2

InChIKey

ZRYJPBASNVAHTC-UHFFFAOYSA-N

Compound name

1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 186.13683 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]+	187.144106	143.1
[M+Na]+	209.126048	146.2
[M-H]-	185.129554	145.1
[M+NH4]+	204.170653	157.7
[M+K]+	225.099988	146.5
[M+H-H2O]+	169.134090	135.1
[M+HCOO]-	231.135031	157.0
[M+CH3COO]-	245.150681	175.8
[M+Na-2H]-	207.111496	146.9
[M]+	186.13628142	137.2
[M]-	186.13737858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe