CID 25742

N-ethyl-n-(2-hydroxyethyl)nitrosamine

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

CCN(CCO)N=O

InChI

InChI=1S/C4H10N2O2/c1-2-6(5-8)3-4-7/h7H,2-4H2,1H3

InChIKey

HNQBPUIXFDQDRJ-UHFFFAOYSA-N

Compound name

N-ethyl-N-(2-hydroxyethyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 74
References: 98
Patents: 118.07423 Da
Monoisotopic Mass: -0.1
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]+	119.08151	122.6
[M+Na]+	141.06345	131.2
[M+NH4]+	136.10805	130.0
[M+K]+	157.03739	127.0
[M-H]-	117.06695	122.7
[M+Na-2H]-	139.04890	126.7
[M]+	118.07368	123.4
[M]-	118.07478	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe