CID 85598

1-nitroso-5,6-dihydrouracil

Structural Information

Molecular Formula

C₄H₅N₃O₃

SMILES

C1CN(C(=O)NC1=O)N=O

InChI

InChI=1S/C4H5N3O3/c8-3-1-2-7(6-10)4(9)5-3/h1-2H2,(H,5,8,9)

InChIKey

NTUQAPWIPIIWLT-UHFFFAOYSA-N

Compound name

1-nitroso-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 14
Patents: 143.0331 Da
Monoisotopic Mass: -1.3
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]+	144.04038	124.5
[M+Na]+	166.02232	132.6
[M-H]-	142.02582	125.5
[M+NH4]+	161.06692	142.8
[M+K]+	181.99626	132.0
[M+H-H2O]+	126.03036	117.6
[M+HCOO]-	188.03130	145.9
[M+CH3COO]-	202.04695	173.4
[M+Na-2H]-	164.00777	131.3
[M]+	143.03255	121.5
[M]-	143.03365	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe