CID 81133

6632-68-4

Structural Information

Molecular Formula

C₆H₈N₄O₃

SMILES

CN1C(=C(C(=O)N(C1=O)C)N=O)N

InChI

InChI=1S/C6H8N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h7H2,1-2H3

InChIKey

MGBDANYXBKROBW-UHFFFAOYSA-N

Compound name

6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 106
Patents: 184.05965 Da
Monoisotopic Mass: 0.1
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]+	185.06693	135.1
[M+Na]+	207.04887	147.3
[M+NH4]+	202.09347	140.6
[M+K]+	223.02281	143.5
[M-H]-	183.05237	135.6
[M+Na-2H]-	205.03432	140.1
[M]+	184.05910	136.6
[M]-	184.06020	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe