CID 135911925

5,6,7,8-tetrahydropterin-6-carboxylate

Structural Information

Molecular Formula
C7H9N5O3
SMILES
C1C(NC2=C(N1)N=C(NC2=O)N)C(=O)O
InChI
InChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)
InChIKey
QSIYONWVWDSRRO-UHFFFAOYSA-N
Compound name
2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

211.07054 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07782 146.5
[M+Na]+ 234.05976 154.6
[M-H]- 210.06326 140.4
[M+NH4]+ 229.10436 157.6
[M+K]+ 250.03370 149.1
[M+H-H2O]+ 194.06780 139.1
[M+HCOO]- 256.06874 157.7
[M+CH3COO]- 270.08439 179.5
[M+Na-2H]- 232.04521 151.1
[M]+ 211.06999 138.3
[M]- 211.07109 138.3
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