CID 26311

Methylnitrosobiuret

Structural Information

Molecular Formula

C₃H₆N₄O₃

SMILES

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

InChI

InChI=1S/C3H6N4O3/c1-7(6-10)3(9)5-2(4)8/h1H3,(H3,4,5,8,9)

InChIKey

YBODEWRZWWTHPL-UHFFFAOYSA-N

Compound name

3-carbamoyl-1-methyl-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 13
Patents: 146.04399 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]+	147.05127	128.6
[M+Na]+	169.03321	134.0
[M+NH4]+	164.07781	133.9
[M+K]+	185.00715	132.8
[M-H]-	145.03671	128.0
[M+Na-2H]-	167.01866	130.9
[M]+	146.04344	128.3
[M]-	146.04454	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe