CID 11672770

N-methylpiperazine-1-carboxamide

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

CNC(=O)N1CCNCC1

InChI

InChI=1S/C6H13N3O/c1-7-6(10)9-4-2-8-3-5-9/h8H,2-5H2,1H3,(H,7,10)

InChIKey

HPYONZVIPMACEZ-UHFFFAOYSA-N

Compound name

N-methylpiperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 434
Patents: 143.10587 Da
Monoisotopic Mass: -1.1
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]+	144.11315	132.5
[M+Na]+	166.09509	137.0
[M-H]-	142.09859	131.1
[M+NH4]+	161.13969	150.0
[M+K]+	182.06903	135.7
[M+H-H2O]+	126.10313	125.3
[M+HCOO]-	188.10407	150.0
[M+CH3COO]-	202.11972	171.6
[M+Na-2H]-	164.08054	137.8
[M]+	143.10532	125.3
[M]-	143.10642	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe