CID 135503326

36323-96-3

Structural Information

Molecular Formula

C₈H₁₁N₅O

SMILES

CN1C=NC2=C1N=C(NC2=O)N(C)C

InChI

InChI=1S/C8H11N5O/c1-12(2)8-10-6-5(7(14)11-8)9-4-13(6)3/h4H,1-3H3,(H,10,11,14)

InChIKey

RXEKOIHFPYBYSU-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-9-methyl-1H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 193.09636 Da
Monoisotopic Mass: -0.5
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]+	194.10364	140.1
[M+Na]+	216.08558	152.4
[M-H]-	192.08908	141.0
[M+NH4]+	211.13018	157.6
[M+K]+	232.05952	149.4
[M+H-H2O]+	176.09362	132.0
[M+HCOO]-	238.09456	162.2
[M+CH3COO]-	252.11021	187.1
[M+Na-2H]-	214.07103	147.4
[M]+	193.09581	143.4
[M]-	193.09691	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe