CID 13715572

1-(methoxyacetyl)piperazine

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

COCC(=O)N1CCNCC1

InChI

InChI=1S/C7H14N2O2/c1-11-6-7(10)9-4-2-8-3-5-9/h8H,2-6H2,1H3

InChIKey

YXPHKMZYEBWDQO-UHFFFAOYSA-N

Compound name

2-methoxy-1-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 249
Patents: 158.10553 Da
Monoisotopic Mass: -1.0
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]+	159.11281	135.8
[M+Na]+	181.09475	145.1
[M+NH4]+	176.13935	142.6
[M+K]+	197.06869	140.6
[M-H]-	157.09825	134.9
[M+Na-2H]-	179.08020	139.3
[M]+	158.10498	136.4
[M]-	158.10608	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe