CID 92263

Urea, 3-acetyl-1-methyl-1-nitroso-

Structural Information

Molecular Formula

C₄H₇N₃O₃

SMILES

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

InChI

InChI=1S/C4H7N3O3/c1-3(8)5-4(9)7(2)6-10/h1-2H3,(H,5,8,9)

InChIKey

KCVSUTDQYYYPFT-UHFFFAOYSA-N

Compound name

N-[methyl(nitroso)carbamoyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.04874 Da
Monoisotopic Mass: -0.4
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]+	146.056016	126.7
[M+Na]+	168.037958	133.2
[M-H]-	144.041464	130.3
[M+NH4]+	163.082563	148.3
[M+K]+	184.011898	136.3
[M+H-H2O]+	128.046000	120.6
[M+HCOO]-	190.046941	155.5
[M+CH3COO]-	204.062591	185.0
[M+Na-2H]-	166.023406	132.7
[M]+	145.04819142	128.6
[M]-	145.04928858	128.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.