CID 130063

1-(2-methoxyethyl)-1-nitrosourea

Structural Information

Molecular Formula

C₄H₉N₃O₃

SMILES

COCCN(C(=O)N)N=O

InChI

InChI=1S/C4H9N3O3/c1-10-3-2-7(6-9)4(5)8/h2-3H2,1H3,(H2,5,8)

InChIKey

LGTPJLYTRSHHTM-UHFFFAOYSA-N

Compound name

1-(2-methoxyethyl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 147.06439 Da
Monoisotopic Mass: -0.2
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]+	148.07167	129.0
[M+Na]+	170.05361	135.8
[M+NH4]+	165.09821	135.1
[M+K]+	186.02755	133.2
[M-H]-	146.05711	128.7
[M+Na-2H]-	168.03906	131.9
[M]+	147.06384	129.2
[M]-	147.06494	129.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.