CID 12486320

Schembl9703479

Structural Information

Molecular Formula
C9H13N5O2
SMILES
COC(CN1C=NC2=C(N=CN=C21)N)CO
InChI
InChI=1S/C9H13N5O2/c1-16-6(3-15)2-14-5-13-7-8(10)11-4-12-9(7)14/h4-6,15H,2-3H2,1H3,(H2,10,11,12)
InChIKey
JBTYCAYQBLWDEV-UHFFFAOYSA-N
Compound name
3-(6-aminopurin-9-yl)-2-methoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

223.10692 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11420 147.7
[M+Na]+ 246.09614 157.7
[M-H]- 222.09964 146.2
[M+NH4]+ 241.14074 162.6
[M+K]+ 262.07008 154.6
[M+H-H2O]+ 206.10418 139.2
[M+HCOO]- 268.10512 167.4
[M+CH3COO]- 282.12077 188.7
[M+Na-2H]- 244.08159 153.9
[M]+ 223.10637 150.2
[M]- 223.10747 150.2
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.