CID 92355

3,4-dibromonitrosopiperidine

Structural Information

Molecular Formula

C₅H₈Br₂N₂O

SMILES

C1CN(CC(C1Br)Br)N=O

InChI

InChI=1S/C5H8Br2N2O/c6-4-1-2-9(8-10)3-5(4)7/h4-5H,1-3H2

InChIKey

MKHXETBKLZIQOV-UHFFFAOYSA-N

Compound name

3,4-dibromo-1-nitrosopiperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 269.90033 Da
Monoisotopic Mass: 1.2
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]+	270.90761	132.0
[M+Na]+	292.88955	142.0
[M-H]-	268.89305	138.4
[M+NH4]+	287.93415	151.3
[M+K]+	308.86349	127.6
[M+H-H2O]+	252.89759	139.2
[M+HCOO]-	314.89853	147.5
[M+CH3COO]-	328.91418	201.8
[M+Na-2H]-	290.87500	139.6
[M]+	269.89978	163.8
[M]-	269.90088	163.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.