CID 10749434

1-(piperazin-1-yl)butan-1-one

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CCCC(=O)N1CCNCC1

InChI

InChI=1S/C8H16N2O/c1-2-3-8(11)10-6-4-9-5-7-10/h9H,2-7H2,1H3

InChIKey

OGQQJMSDOICEAR-UHFFFAOYSA-N

Compound name

1-piperazin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 221
Patents: 156.12627 Da
Monoisotopic Mass: -0.1
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]+	157.133546	137.5
[M+Na]+	179.115488	141.9
[M-H]-	155.118994	135.8
[M+NH4]+	174.160093	154.8
[M+K]+	195.089428	140.3
[M+H-H2O]+	139.123530	130.4
[M+HCOO]-	201.124471	153.3
[M+CH3COO]-	215.140121	173.4
[M+Na-2H]-	177.100936	141.5
[M]+	156.12572142	131.9
[M]-	156.12681858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe