CID 172879900

2-oxo-ethenoguanine

Structural Information

Molecular Formula
C7H5N5O2
SMILES
C1=CN2C(=O)C3=C(NC(=O)N3)NC2=N1
InChI
InChI=1S/C7H5N5O2/c13-5-3-4(11-7(14)9-3)10-6-8-1-2-12(5)6/h1-2H,(H,8,10)(H2,9,11,14)
InChIKey
ZEXJWTSMBJRGGG-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.04433 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05161 136.6
[M+Na]+ 214.03355 151.4
[M-H]- 190.03705 134.3
[M+NH4]+ 209.07815 153.7
[M+K]+ 230.00749 145.2
[M+H-H2O]+ 174.04159 129.6
[M+HCOO]- 236.04253 155.5
[M+CH3COO]- 250.05818 149.6
[M+Na-2H]- 212.01900 144.1
[M]+ 191.04378 137.8
[M]- 191.04488 137.8
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.