CID 153006

3-hydroxy-1-methylguanine

Structural Information

Molecular Formula
C6H7N5O2
SMILES
CN1C(=O)C2=C(N=CN2)N(C1=N)O
InChI
InChI=1S/C6H7N5O2/c1-10-5(12)3-4(9-2-8-3)11(13)6(10)7/h2,7,13H,1H3,(H,8,9)
InChIKey
DQIIPZOYVYHCGT-UHFFFAOYSA-N
Compound name
3-hydroxy-2-imino-1-methyl-7H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05997 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06725 135.2
[M+Na]+ 204.04919 148.8
[M-H]- 180.05269 134.0
[M+NH4]+ 199.09379 151.9
[M+K]+ 220.02313 144.0
[M+H-H2O]+ 164.05723 128.1
[M+HCOO]- 226.05817 156.3
[M+CH3COO]- 240.07382 148.5
[M+Na-2H]- 202.03464 142.8
[M]+ 181.05942 135.8
[M]- 181.06052 135.8
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.