CID 3913944

(2,6-diamino-9h-purin-8-yl)methanol dihydrochloride

Structural Information

Molecular Formula
C6H8N6O
SMILES
C(C1=NC2=NC(=NC(=C2N1)N)N)O
InChI
InChI=1S/C6H8N6O/c7-4-3-5(12-6(8)11-4)10-2(1-13)9-3/h13H,1H2,(H5,7,8,9,10,11,12)
InChIKey
PKXOXDORKHMJLY-UHFFFAOYSA-N
Compound name
(2,6-diamino-7H-purin-8-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07596 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.083236 135.7
[M+Na]+ 203.065178 147.2
[M-H]- 179.068684 133.2
[M+NH4]+ 198.109783 151.5
[M+K]+ 219.039118 142.5
[M+H-H2O]+ 163.073220 128.1
[M+HCOO]- 225.074161 156.2
[M+CH3COO]- 239.089811 147.9
[M+Na-2H]- 201.050626 143.0
[M]+ 180.07541142 133.4
[M]- 180.07650858 133.4
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.