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

1
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

patents stripe