CID 91666

3,4-dichloronitrosopiperidine

Structural Information

Molecular Formula

C₅H₈Cl₂N₂O

SMILES

C1CN(CC(C1Cl)Cl)N=O

InChI

InChI=1S/C5H8Cl2N2O/c6-4-1-2-9(8-10)3-5(4)7/h4-5H,1-3H2

InChIKey

PWVLDTAMPHWUNX-UHFFFAOYSA-N

Compound name

3,4-dichloro-1-nitrosopiperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 182.00137 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]+	183.00865	133.5
[M+Na]+	204.99059	142.1
[M-H]-	180.99409	136.1
[M+NH4]+	200.03519	153.8
[M+K]+	220.96453	139.2
[M+H-H2O]+	164.99863	128.6
[M+HCOO]-	226.99957	146.8
[M+CH3COO]-	241.01522	182.5
[M+Na-2H]-	202.97604	138.8
[M]+	182.00082	133.4
[M]-	182.00192	133.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.