CID 157184

5,6-diamino-1-methyluracil

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

CN1C(=C(C(=O)NC1=O)N)N

InChI

InChI=1S/C5H8N4O2/c1-9-3(7)2(6)4(10)8-5(9)11/h6-7H2,1H3,(H,8,10,11)

InChIKey

PSIJQVXIJHUQPJ-UHFFFAOYSA-N

Compound name

5,6-diamino-1-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 175
Patents: 156.06473 Da
Monoisotopic Mass: -1.4
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	129.7
[M+Na]+	179.05395	141.1
[M-H]-	155.05745	130.1
[M+NH4]+	174.09855	147.2
[M+K]+	195.02789	137.8
[M+H-H2O]+	139.06199	123.3
[M+HCOO]-	201.06293	153.0
[M+CH3COO]-	215.07858	178.3
[M+Na-2H]-	177.03940	135.0
[M]+	156.06418	126.9
[M]-	156.06528	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe