CID 43774

1-methoxy-n-nitrosodiethylamine

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CCN(C(C)OC)N=O

InChI

InChI=1S/C5H12N2O2/c1-4-7(6-8)5(2)9-3/h5H,4H2,1-3H3

InChIKey

DCUKVUVLSDGDEZ-UHFFFAOYSA-N

Compound name

N-ethyl-N-(1-methoxyethyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 132.08987 Da
Monoisotopic Mass: 0.5
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]+	133.097146	126.6
[M+Na]+	155.079088	133.1
[M-H]-	131.082594	129.9
[M+NH4]+	150.123693	149.2
[M+K]+	171.053028	136.1
[M+H-H2O]+	115.087130	120.8
[M+HCOO]-	177.088071	154.4
[M+CH3COO]-	191.103721	184.0
[M+Na-2H]-	153.064536	133.1
[M]+	132.08932142	130.6
[M]-	132.09041858	130.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.