CID 139598125

2-(2-amino-6-oxo-1h-purin-9-yl)-2-methoxyacetic acid

Structural Information

Molecular Formula
C8H9N5O4
SMILES
COC(C(=O)O)N1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C8H9N5O4/c1-17-6(7(15)16)13-2-10-3-4(13)11-8(9)12-5(3)14/h2,6H,1H3,(H,15,16)(H3,9,11,12,14)
InChIKey
YYOGOSXZCZXRIX-UHFFFAOYSA-N
Compound name
2-(2-amino-6-oxo-1H-purin-9-yl)-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06546 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.072736 148.1
[M+Na]+ 262.054678 158.7
[M-H]- 238.058184 146.0
[M+NH4]+ 257.099283 161.4
[M+K]+ 278.028618 155.7
[M+H-H2O]+ 222.062720 140.3
[M+HCOO]- 284.063661 166.3
[M+CH3COO]- 298.079311 188.7
[M+Na-2H]- 260.040126 152.6
[M]+ 239.06491142 149.5
[M]- 239.06600858 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.