CID 8431

120-43-4

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

CCOC(=O)N1CCNCC1

InChI

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

InChIKey

LNOQURRKNJKKBU-UHFFFAOYSA-N

Compound name

ethyl piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 4705
Patents: 158.10553 Da
Monoisotopic Mass: -0.2
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	136.1
[M+Na]+	181.09475	140.9
[M-H]-	157.09825	134.6
[M+NH4]+	176.13935	153.3
[M+K]+	197.06869	140.0
[M+H-H2O]+	141.10279	129.0
[M+HCOO]-	203.10373	152.5
[M+CH3COO]-	217.11938	171.8
[M+Na-2H]-	179.08020	140.6
[M]+	158.10498	131.5
[M]-	158.10608	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe