CID 258192

5623-95-0

Structural Information

Molecular Formula

C₅H₁₁N₃O

SMILES

C1CN(CCN1)C(=O)N

InChI

InChI=1S/C5H11N3O/c6-5(9)8-3-1-7-2-4-8/h7H,1-4H2,(H2,6,9)

InChIKey

IVXQBCUBSIPQGU-UHFFFAOYSA-N

Compound name

piperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 5828
Patents: 129.09021 Da
Monoisotopic Mass: -1.5
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]+	130.09749	128.2
[M+Na]+	152.07943	133.1
[M-H]-	128.08293	126.5
[M+NH4]+	147.12403	145.9
[M+K]+	168.05337	131.7
[M+H-H2O]+	112.08747	121.2
[M+HCOO]-	174.08841	145.4
[M+CH3COO]-	188.10406	168.6
[M+Na-2H]-	150.06488	133.0
[M]+	129.08966	119.7
[M]-	129.09076	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe