CID 135464078

8-hydroxy-7-methylguanine

Structural Information

Molecular Formula
C6H7N5O2
SMILES
CN1C2=C(NC1=O)N=C(NC2=O)N
InChI
InChI=1S/C6H7N5O2/c1-11-2-3(9-6(11)13)8-5(7)10-4(2)12/h1H3,(H4,7,8,9,10,12,13)
InChIKey
VHPXSVXJBWZORQ-UHFFFAOYSA-N
Compound name
2-amino-7-methyl-1,9-dihydropurine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

181.05997 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06725 135.7
[M+Na]+ 204.04919 149.3
[M-H]- 180.05269 134.0
[M+NH4]+ 199.09379 152.1
[M+K]+ 220.02313 144.2
[M+H-H2O]+ 164.05723 128.6
[M+HCOO]- 226.05817 156.1
[M+CH3COO]- 240.07382 148.7
[M+Na-2H]- 202.03464 142.3
[M]+ 181.05942 135.3
[M]- 181.06052 135.3
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