CID 49986

N-nitrosobis(2-methoxyethyl)amine

Structural Information

Molecular Formula

C₆H₁₄N₂O₃

SMILES

COCCN(CCOC)N=O

InChI

InChI=1S/C6H14N2O3/c1-10-5-3-8(7-9)4-6-11-2/h3-6H2,1-2H3

InChIKey

YUOVQRQPDLKLTB-UHFFFAOYSA-N

Compound name

N,N-bis(2-methoxyethyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4
Patents: 162.10045 Da
Monoisotopic Mass: -0.4
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]+	163.10773	133.0
[M+Na]+	185.08967	139.2
[M-H]-	161.09317	136.0
[M+NH4]+	180.13427	154.5
[M+K]+	201.06361	142.1
[M+H-H2O]+	145.09771	126.7
[M+HCOO]-	207.09865	161.8
[M+CH3COO]-	221.11430	188.2
[M+Na-2H]-	183.07512	140.4
[M]+	162.09990	139.5
[M]-	162.10100	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe