CID 135429858

86296-75-5

Structural Information

Molecular Formula

C₅H₇N₅O₂

SMILES

CNC1=C(C(=O)NC(=N1)N)N=O

InChI

InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)

InChIKey

ISOZZGJCVBHMSM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 169.05997 Da
Monoisotopic Mass: -1.0
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]+	170.06725	131.3
[M+Na]+	192.04919	141.2
[M-H]-	168.05269	133.1
[M+NH4]+	187.09379	148.4
[M+K]+	208.02313	139.1
[M+H-H2O]+	152.05723	123.7
[M+HCOO]-	214.05817	157.8
[M+CH3COO]-	228.07382	185.2
[M+Na-2H]-	190.03464	139.4
[M]+	169.05942	130.1
[M]-	169.06052	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe