CID 92372

N-nitroso-3,5-dimethylpiperidine

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC1CC(CN(C1)N=O)C

InChI

InChI=1S/C7H14N2O/c1-6-3-7(2)5-9(4-6)8-10/h6-7H,3-5H2,1-2H3

InChIKey

QGLSEFISGRBIML-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1-nitrosopiperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 142.11061 Da
Monoisotopic Mass: 1.5
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]+	143.117886	129.4
[M+Na]+	165.099828	136.3
[M-H]-	141.103334	132.8
[M+NH4]+	160.144433	150.3
[M+K]+	181.073768	136.3
[M+H-H2O]+	125.107870	123.0
[M+HCOO]-	187.108811	151.9
[M+CH3COO]-	201.124461	179.9
[M+Na-2H]-	163.085276	135.1
[M]+	142.11006142	127.4
[M]-	142.11115858	127.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.