CID 357028

Nsc614631

Structural Information

Molecular Formula
C8H11N5O2
SMILES
C1=C2C(=NC(=N1)N)N=CN2CC(CO)O
InChI
InChI=1S/C8H11N5O2/c9-8-10-1-6-7(12-8)11-4-13(6)2-5(15)3-14/h1,4-5,14-15H,2-3H2,(H2,9,10,12)
InChIKey
UVIJFWQTFYISII-UHFFFAOYSA-N
Compound name
3-(2-aminopurin-7-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09128 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09856 143.7
[M+Na]+ 232.08050 153.7
[M-H]- 208.08400 141.0
[M+NH4]+ 227.12510 158.4
[M+K]+ 248.05444 150.0
[M+H-H2O]+ 192.08854 135.6
[M+HCOO]- 254.08948 162.2
[M+CH3COO]- 268.10513 183.4
[M+Na-2H]- 230.06595 149.9
[M]+ 209.09073 144.0
[M]- 209.09183 144.0
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.