CID 514103

3-hydroxypteridin-4-one

Structural Information

Molecular Formula
C6H4N4O2
SMILES
C1=CN=C2C(=N1)C(=O)N(C=N2)O
InChI
InChI=1S/C6H4N4O2/c11-6-4-5(8-2-1-7-4)9-3-10(6)12/h1-3,12H
InChIKey
HZDJBYRPYKLJEH-UHFFFAOYSA-N
Compound name
3-hydroxypteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

164.03343 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04071 130.9
[M+Na]+ 187.02265 142.9
[M-H]- 163.02615 129.6
[M+NH4]+ 182.06725 146.7
[M+K]+ 202.99659 139.4
[M+H-H2O]+ 147.03069 122.7
[M+HCOO]- 209.03163 150.0
[M+CH3COO]- 223.04728 143.9
[M+Na-2H]- 185.00810 141.9
[M]+ 164.03288 131.6
[M]- 164.03398 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.