CID 83273

Nitrosodimethylurea

Structural Information

Molecular Formula

C₃H₇N₃O₂

SMILES

CNC(=O)N(C)N=O

InChI

InChI=1S/C3H7N3O2/c1-4-3(7)6(2)5-8/h1-2H3,(H,4,7)

InChIKey

BHMHNSQLZKUIMD-UHFFFAOYSA-N

Compound name

1,3-dimethyl-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 219
Patents: 117.053825 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]+	118.06110	122.1
[M+Na]+	140.04304	129.9
[M+NH4]+	135.08765	129.1
[M+K]+	156.01698	126.7
[M-H]-	116.04655	122.5
[M+Na-2H]-	138.02849	126.2
[M]+	117.05328	122.7
[M]-	117.05437	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe