CID 135416495

2209-72-5

Structural Information

Molecular Formula

C₅H₆N₄O₂

SMILES

CC1=NC(=C(C(=O)N1)N=O)N

InChI

InChI=1S/C5H6N4O2/c1-2-7-4(6)3(9-11)5(10)8-2/h1H3,(H3,6,7,8,10)

InChIKey

DRDJDNORXOOBHR-UHFFFAOYSA-N

Compound name

4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 154.04907 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]+	155.056346	127.6
[M+Na]+	177.038288	138.3
[M-H]-	153.041794	129.4
[M+NH4]+	172.082893	145.7
[M+K]+	193.012228	136.3
[M+H-H2O]+	137.046330	120.5
[M+HCOO]-	199.047271	153.1
[M+CH3COO]-	213.062921	179.8
[M+Na-2H]-	175.023736	135.3
[M]+	154.04852142	127.2
[M]-	154.04961858	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe