CID 135480681

91898-01-0

Structural Information

Molecular Formula
C9H14N6O3
SMILES
CNC1=NC2=C(N1COCCO)N=C(NC2=O)N
InChI
InChI=1S/C9H14N6O3/c1-11-9-12-5-6(13-8(10)14-7(5)17)15(9)4-18-3-2-16/h16H,2-4H2,1H3,(H,11,12)(H3,10,13,14,17)
InChIKey
RMIKKWRLLOPCMC-UHFFFAOYSA-N
Compound name
2-amino-9-(2-hydroxyethoxymethyl)-8-(methylamino)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.11273 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12001 153.9
[M+Na]+ 277.10195 164.6
[M-H]- 253.10545 151.8
[M+NH4]+ 272.14655 166.9
[M+K]+ 293.07589 160.2
[M+H-H2O]+ 237.10999 145.6
[M+HCOO]- 299.11093 174.4
[M+CH3COO]- 313.12658 194.9
[M+Na-2H]- 275.08740 160.0
[M]+ 254.11218 155.9
[M]- 254.11328 155.9
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.