CID 13066076

Methyl n-[2-(piperazin-1-yl)ethyl]carbamate dihydrochloride

Structural Information

Molecular Formula

C₈H₁₇N₃O₂

SMILES

COC(=O)NCCN1CCNCC1

InChI

InChI=1S/C8H17N3O2/c1-13-8(12)10-4-7-11-5-2-9-3-6-11/h9H,2-7H2,1H3,(H,10,12)

InChIKey

JLNFUWAUGOXARC-UHFFFAOYSA-N

Compound name

methyl N-(2-piperazin-1-ylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 187.13208 Da
Monoisotopic Mass: -0.7
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]+	188.139356	143.8
[M+Na]+	210.121298	147.3
[M-H]-	186.124804	142.1
[M+NH4]+	205.165903	159.4
[M+K]+	226.095238	146.1
[M+H-H2O]+	170.129340	136.0
[M+HCOO]-	232.130281	160.9
[M+CH3COO]-	246.145931	179.8
[M+Na-2H]-	208.106746	148.2
[M]+	187.13153142	138.8
[M]-	187.13262858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe