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: 168
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]+	173.128466	140.6
[M+Na]+	195.110408	145.0
[M-H]-	171.113914	138.9
[M+NH4]+	190.155013	157.2
[M+K]+	211.084348	143.8
[M+H-H2O]+	155.118450	133.3
[M+HCOO]-	217.119391	156.6
[M+CH3COO]-	231.135041	174.8
[M+Na-2H]-	193.095856	144.5
[M]+	172.12064142	136.3
[M]-	172.12173858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe