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: 198
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]+	157.072006	129.7
[M+Na]+	179.053948	141.1
[M-H]-	155.057454	130.1
[M+NH4]+	174.098553	147.2
[M+K]+	195.027888	137.8
[M+H-H2O]+	139.061990	123.3
[M+HCOO]-	201.062931	153.0
[M+CH3COO]-	215.078581	178.3
[M+Na-2H]-	177.039396	135.0
[M]+	156.06418142	126.9
[M]-	156.06527858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe