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]+	146.09241	130.9
[M+Na]+	168.07435	138.5
[M+NH4]+	163.11895	137.8
[M+K]+	184.04829	135.4
[M-H]-	144.07785	131.6
[M+Na-2H]-	166.05980	134.7
[M]+	145.08458	131.6
[M]-	145.08568	131.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.