CID 21567

N-nitroso-n-methylcyclohexylamine

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CN(C1CCCCC1)N=O

InChI

InChI=1S/C7H14N2O/c1-9(8-10)7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

KZRHBQXJMQDNEZ-UHFFFAOYSA-N

Compound name

N-cyclohexyl-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 4
Patents: 142.11061 Da
Monoisotopic Mass: 2.0
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]+	143.11789	129.2
[M+Na]+	165.09983	133.4
[M-H]-	141.10333	134.7
[M+NH4]+	160.14443	151.0
[M+K]+	181.07377	134.8
[M+H-H2O]+	125.10787	122.6
[M+HCOO]-	187.10881	154.5
[M+CH3COO]-	201.12446	183.4
[M+Na-2H]-	163.08528	135.8
[M]+	142.11006	126.4
[M]-	142.11116	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe