CID 22393735

Propyl piperazine-1-carboxylate hydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

CCCOC(=O)N1CCNCC1

InChI

InChI=1S/C8H16N2O2/c1-2-7-12-8(11)10-5-3-9-4-6-10/h9H,2-7H2,1H3

InChIKey

IGXBNWXKQPCCCJ-UHFFFAOYSA-N

Compound name

propyl piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 172.12119 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]+	173.12847	140.4
[M+Na]+	195.11041	149.5
[M+NH4]+	190.15501	147.0
[M+K]+	211.08435	144.7
[M-H]-	171.11391	139.4
[M+Na-2H]-	193.09586	143.6
[M]+	172.12064	140.9
[M]-	172.12174	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe