CID 135420630

8-hydroxyguanine

Structural Information

Molecular Formula
C5H5N5O2
SMILES
C12=C(NC(=O)N1)N=C(NC2=O)N
InChI
InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
InChIKey
CLGFIVUFZRGQRP-UHFFFAOYSA-N
Compound name
2-amino-7,9-dihydro-1H-purine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1788
References

12593
Patents

167.04433 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.051606 131.1
[M+Na]+ 190.033548 143.8
[M-H]- 166.037054 127.8
[M+NH4]+ 185.078153 147.0
[M+K]+ 206.007488 138.1
[M+H-H2O]+ 150.041590 124.1
[M+HCOO]- 212.042531 150.4
[M+CH3COO]- 226.058181 143.5
[M+Na-2H]- 188.018996 138.5
[M]+ 167.04378142 128.1
[M]- 167.04487858 128.1
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