CID 4962075

1172890-30-0

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

CNC(=O)CN1CCNCC1

InChI

InChI=1S/C7H15N3O/c1-8-7(11)6-10-4-2-9-3-5-10/h9H,2-6H2,1H3,(H,8,11)

InChIKey

SOTHHBNFPDRYCM-UHFFFAOYSA-N

Compound name

N-methyl-2-piperazin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 210
Patents: 157.1215 Da
Monoisotopic Mass: -1.0
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]+	158.128776	136.6
[M+Na]+	180.110718	140.6
[M-H]-	156.114224	135.0
[M+NH4]+	175.155323	153.4
[M+K]+	196.084658	139.1
[M+H-H2O]+	140.118760	129.2
[M+HCOO]-	202.119701	153.8
[M+CH3COO]-	216.135351	175.3
[M+Na-2H]-	178.096166	141.5
[M]+	157.12095142	129.9
[M]-	157.12204858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe