CID 135408747

9-methyl-9h-purin-6-ol

Structural Information

Molecular Formula
C6H6N4O
SMILES
CN1C=NC2=C1N=CNC2=O
InChI
InChI=1S/C6H6N4O/c1-10-3-9-4-5(10)7-2-8-6(4)11/h2-3H,1H3,(H,7,8,11)
InChIKey
PESGUQRDJASXOR-UHFFFAOYSA-N
Compound name
9-methyl-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

436
Patents

150.05415 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 127.2
[M+Na]+ 173.04337 140.2
[M-H]- 149.04687 126.4
[M+NH4]+ 168.08797 145.8
[M+K]+ 189.01731 136.5
[M+H-H2O]+ 133.05141 119.7
[M+HCOO]- 195.05235 148.4
[M+CH3COO]- 209.06800 141.3
[M+Na-2H]- 171.02882 136.3
[M]+ 150.05360 128.8
[M]- 150.05470 128.8
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

patents stripe