CID 104823

Nitrosomethylurea

Structural Information

Molecular Formula

C₂H₅N₃O₂

SMILES

C(NC(=O)N)N=O

InChI

InChI=1S/C2H5N3O2/c3-2(6)4-1-5-7/h1H2,(H3,3,4,6)

InChIKey

RHGYANGWZZFRIJ-UHFFFAOYSA-N

Compound name

nitrosomethylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3270
References: 65
Patents: 103.03818 Da
Monoisotopic Mass: -1.6
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]+	104.04546	117.1
[M+Na]+	126.02740	124.6
[M+NH4]+	121.07200	123.9
[M+K]+	142.00134	121.4
[M-H]-	102.03090	117.1
[M+Na-2H]-	124.01285	120.8
[M]+	103.03763	117.5
[M]-	103.03873	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe