CID 137242494

9-carboxymethoxy-methylguanine

Structural Information

Molecular Formula
C8H9N5O4
SMILES
CNC1=NC2=C(C(=O)N1)N=CN2OCC(=O)O
InChI
InChI=1S/C8H9N5O4/c1-9-8-11-6-5(7(16)12-8)10-3-13(6)17-2-4(14)15/h3H,2H2,1H3,(H,14,15)(H2,9,11,12,16)
InChIKey
REECWPHUYBKNEI-UHFFFAOYSA-N
Compound name
2-[[2-(methylamino)-6-oxo-1H-purin-9-yl]oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

239.06546 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.072736 147.4
[M+Na]+ 262.054678 158.4
[M-H]- 238.058184 145.6
[M+NH4]+ 257.099283 161.1
[M+K]+ 278.028618 155.0
[M+H-H2O]+ 222.062720 139.4
[M+HCOO]- 284.063661 167.2
[M+CH3COO]- 298.079311 188.2
[M+Na-2H]- 260.040126 154.1
[M]+ 239.06491142 150.4
[M]- 239.06600858 150.4
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.