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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 156.4
[M+Na]+ 263.11146 165.3
[M-H]- 239.11496 153.4
[M+NH4]+ 258.15606 170.6
[M+K]+ 279.08540 162.2
[M+H-H2O]+ 223.11950 148.8
[M+HCOO]- 285.12044 169.8
[M+CH3COO]- 299.13609 189.7
[M+Na-2H]- 261.09691 157.4
[M]+ 240.12169 156.3
[M]- 240.12279 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.