CID 15895852

61379-66-6

Structural Information

Molecular Formula

C₉H₁₇N₃O

SMILES

C1CCC(C1)N2CCN(CC2)N=O

InChI

InChI=1S/C9H17N3O/c13-10-12-7-5-11(6-8-12)9-3-1-2-4-9/h9H,1-8H2

InChIKey

JSRLIZBFYXZPLC-UHFFFAOYSA-N

Compound name

1-cyclopentyl-4-nitrosopiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 183.13716 Da
Monoisotopic Mass: 1.3
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]+	184.144436	141.3
[M+Na]+	206.126378	145.4
[M-H]-	182.129884	145.3
[M+NH4]+	201.170983	159.9
[M+K]+	222.100318	144.6
[M+H-H2O]+	166.134420	132.5
[M+HCOO]-	228.135361	161.1
[M+CH3COO]-	242.151011	183.8
[M+Na-2H]-	204.111826	144.4
[M]+	183.13661142	135.4
[M]-	183.13770858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe