CID 95030

830-65-9

Structural Information

Molecular Formula

C₈H₁₀N₄O₂

SMILES

CC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C8H10N4O2/c1-4-9-5-6(10-4)11(2)8(14)12(3)7(5)13/h1-3H3,(H,9,10)

InChIKey

WZBKGWBHAPBSBF-UHFFFAOYSA-N

Compound name

1,3,8-trimethyl-7H-purine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 386
Patents: 194.08037 Da
Monoisotopic Mass: 0.4
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]+	195.08765	140.3
[M+Na]+	217.06959	154.8
[M+NH4]+	212.11419	146.3
[M+K]+	233.04353	151.7
[M-H]-	193.07309	139.0
[M+Na-2H]-	215.05504	144.8
[M]+	194.07982	141.8
[M]-	194.08092	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe