CID 135404220

70700-44-6

Structural Information

Molecular Formula

C₆H₉N₅O₂

SMILES

CN(C)C1=NC(=C(C(=O)N1)N=O)N

InChI

InChI=1S/C6H9N5O2/c1-11(2)6-8-4(7)3(10-13)5(12)9-6/h1-2H3,(H3,7,8,9,12)

InChIKey

WQJLLOCUCJRMMW-UHFFFAOYSA-N

Compound name

4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 183.07562 Da
Monoisotopic Mass: -1.1
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]+	184.08290	135.8
[M+Na]+	206.06484	145.4
[M-H]-	182.06834	139.0
[M+NH4]+	201.10944	153.1
[M+K]+	222.03878	144.6
[M+H-H2O]+	166.07288	128.0
[M+HCOO]-	228.07382	162.5
[M+CH3COO]-	242.08947	191.5
[M+Na-2H]-	204.05029	142.8
[M]+	183.07507	136.3
[M]-	183.07617	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe