CID 39588

N',n'-dimethyl-n-ethyl-n-nitrosourea

Structural Information

Molecular Formula

C₅H₁₁N₃O₂

SMILES

CCN(C(=O)N(C)C)N=O

InChI

InChI=1S/C5H11N3O2/c1-4-8(6-10)5(9)7(2)3/h4H2,1-3H3

InChIKey

IQQINRUQUTUNST-UHFFFAOYSA-N

Compound name

1-ethyl-3,3-dimethyl-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 145.08513 Da
Monoisotopic Mass: 0.7
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]+	146.092406	129.6
[M+Na]+	168.074348	135.9
[M-H]-	144.077854	134.5
[M+NH4]+	163.118953	152.1
[M+K]+	184.048288	139.8
[M+H-H2O]+	128.082390	123.3
[M+HCOO]-	190.083331	159.2
[M+CH3COO]-	204.098981	190.2
[M+Na-2H]-	166.059796	135.6
[M]+	145.08458142	133.2
[M]-	145.08567858	133.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.