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]+ 240.07274 147.4
[M+Na]+ 262.05468 158.4
[M-H]- 238.05818 145.6
[M+NH4]+ 257.09928 161.1
[M+K]+ 278.02862 155.0
[M+H-H2O]+ 222.06272 139.4
[M+HCOO]- 284.06366 167.2
[M+CH3COO]- 298.07931 188.2
[M+Na-2H]- 260.04013 154.1
[M]+ 239.06491 150.4
[M]- 239.06601 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.