CID 385876

Nsc677276

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

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

InChI

InChI=1S/C5H8N4O2/c1-9(6)3-2-4(10)8-5(11)7-3/h2H,6H2,1H3,(H2,7,8,10,11)

InChIKey

QWORRGCLMAIWHJ-UHFFFAOYSA-N

Compound name

6-[amino(methyl)amino]-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 156.06473 Da
Monoisotopic Mass: -1.6
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]+	157.07201	128.8
[M+Na]+	179.05395	138.0
[M-H]-	155.05745	129.0
[M+NH4]+	174.09855	145.8
[M+K]+	195.02789	135.6
[M+H-H2O]+	139.06199	121.9
[M+HCOO]-	201.06293	151.8
[M+CH3COO]-	215.07858	177.2
[M+Na-2H]-	177.03940	135.6
[M]+	156.06418	125.5
[M]-	156.06528	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe