CID 12508358

3-chloronitrosopiperidine

Structural Information

Molecular Formula

C₅H₉ClN₂O

SMILES

C1CC(CN(C1)N=O)Cl

InChI

InChI=1S/C5H9ClN2O/c6-5-2-1-3-8(4-5)7-9/h5H,1-4H2

InChIKey

KWWLFIMAJYMXDK-UHFFFAOYSA-N

Compound name

3-chloro-1-nitrosopiperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 148.04034 Da
Monoisotopic Mass: 0.8
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]+	149.04762	127.2
[M+Na]+	171.02956	134.6
[M-H]-	147.03306	130.2
[M+NH4]+	166.07416	148.2
[M+K]+	187.00350	133.1
[M+H-H2O]+	131.03760	121.4
[M+HCOO]-	193.03854	145.7
[M+CH3COO]-	207.05419	176.5
[M+Na-2H]-	169.01501	134.1
[M]+	148.03979	125.9
[M]-	148.04089	125.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.