CID 135423468

3-(hypoxanthin-9-yl)-(rs)-lactic acid

Structural Information

Molecular Formula
C8H8N4O4
SMILES
C1=NC2=C(C(=O)N1)N=CN2CC(C(=O)O)O
InChI
InChI=1S/C8H8N4O4/c13-4(8(15)16)1-12-3-11-5-6(12)9-2-10-7(5)14/h2-4,13H,1H2,(H,15,16)(H,9,10,14)
InChIKey
BCRAOZAPWMTKOU-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(6-oxo-1H-purin-9-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.05455 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06183 144.6
[M+Na]+ 247.04377 154.8
[M-H]- 223.04727 141.2
[M+NH4]+ 242.08837 158.1
[M+K]+ 263.01771 151.2
[M+H-H2O]+ 207.05181 137.1
[M+HCOO]- 269.05275 160.9
[M+CH3COO]- 283.06840 180.4
[M+Na-2H]- 245.02922 149.6
[M]+ 224.05400 145.5
[M]- 224.05510 145.5
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.