CID 3248922

18903-05-4

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

CCCCCC(=O)N1CCNCC1

InChI

InChI=1S/C10H20N2O/c1-2-3-4-5-10(13)12-8-6-11-7-9-12/h11H,2-9H2,1H3

InChIKey

ZVWWNYWKAQNQTM-UHFFFAOYSA-N

Compound name

1-piperazin-1-ylhexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 184.15756 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]+	185.16484	146.5
[M+Na]+	207.14678	150.0
[M-H]-	183.15028	144.4
[M+NH4]+	202.19138	162.6
[M+K]+	223.12072	147.8
[M+H-H2O]+	167.15482	138.9
[M+HCOO]-	229.15576	161.6
[M+CH3COO]-	243.17141	179.5
[M+Na-2H]-	205.13223	149.3
[M]+	184.15701	141.6
[M]-	184.15811	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe