CID 135403803

Chebi:232624

Structural Information

Molecular Formula
C7H5N5O3
SMILES
C1=C(N=C2C(=O)NC(=NC2=N1)N)C(=O)O
InChI
InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)
InChIKey
QABAUCFGPWONOG-UHFFFAOYSA-N
Compound name
2-amino-4-oxo-3H-pteridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

210
Patents

207.03925 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04653 142.4
[M+Na]+ 230.02847 153.4
[M-H]- 206.03197 139.7
[M+NH4]+ 225.07307 155.2
[M+K]+ 246.00241 148.9
[M+H-H2O]+ 190.03651 134.4
[M+HCOO]- 252.03745 159.5
[M+CH3COO]- 266.05310 183.0
[M+Na-2H]- 228.01392 150.1
[M]+ 207.03870 140.6
[M]- 207.03980 140.6
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