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]+ 181.08324 135.7
[M+Na]+ 203.06518 147.2
[M-H]- 179.06868 133.2
[M+NH4]+ 198.10978 151.5
[M+K]+ 219.03912 142.5
[M+H-H2O]+ 163.07322 128.1
[M+HCOO]- 225.07416 156.2
[M+CH3COO]- 239.08981 147.9
[M+Na-2H]- 201.05063 143.0
[M]+ 180.07541 133.4
[M]- 180.07651 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.