CID 3057204

73986-44-4

Structural Information

Molecular Formula

C₁₀H₁₆N₄O₃

SMILES

CN1CN(C(=O)C2=C1N=CN2C)CC(CO)O

InChI

InChI=1S/C10H16N4O3/c1-12-5-11-9-8(12)10(17)14(6-13(9)2)3-7(16)4-15/h5,7,15-16H,3-4,6H2,1-2H3

InChIKey

NXQXDPWQCUGSGH-UHFFFAOYSA-N

Compound name

1-(2,3-dihydroxypropyl)-3,7-dimethyl-2H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.12224 Da
Monoisotopic Mass: -1.2
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]+	241.129516	156.4
[M+Na]+	263.111458	165.3
[M-H]-	239.114964	153.4
[M+NH4]+	258.156063	170.6
[M+K]+	279.085398	162.2
[M+H-H2O]+	223.119500	148.8
[M+HCOO]-	285.120441	169.8
[M+CH3COO]-	299.136091	189.7
[M+Na-2H]-	261.096906	157.4
[M]+	240.12169142	156.3
[M]-	240.12278858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.