CID 49987

Bis(2-ethoxyethyl)nitrosoamine

Structural Information

Molecular Formula

C₈H₁₈N₂O₃

SMILES

CCOCCN(CCOCC)N=O

InChI

InChI=1S/C8H18N2O3/c1-3-12-7-5-10(9-11)6-8-13-4-2/h3-8H2,1-2H3

InChIKey

WMLYEFMAENPHOC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 190.13174 Da
Monoisotopic Mass: 0.8
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]+	191.139016	142.3
[M+Na]+	213.120958	147.7
[M-H]-	189.124464	144.9
[M+NH4]+	208.165563	162.6
[M+K]+	229.094898	150.0
[M+H-H2O]+	173.129000	135.6
[M+HCOO]-	235.129941	170.4
[M+CH3COO]-	249.145591	194.2
[M+Na-2H]-	211.106406	148.6
[M]+	190.13119142	149.6
[M]-	190.13228858	149.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.