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]+	133.09715	127.0
[M+Na]+	155.07909	135.7
[M+NH4]+	150.12369	134.6
[M+K]+	171.05303	131.8
[M-H]-	131.08259	127.5
[M+Na-2H]-	153.06454	131.2
[M]+	132.08932	128.0
[M]-	132.09042	128.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.