CID 135465372

9-aemg

Structural Information

Molecular Formula
C8H12N6O2
SMILES
C1=NC2=C(N1COCCN)N=C(NC2=O)N
InChI
InChI=1S/C8H12N6O2/c9-1-2-16-4-14-3-11-5-6(14)12-8(10)13-7(5)15/h3H,1-2,4,9H2,(H3,10,12,13,15)
InChIKey
BKUQORFZMZLJRL-UHFFFAOYSA-N
Compound name
2-amino-9-(2-aminoethoxymethyl)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

224.10217 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10945 146.0
[M+Na]+ 247.09139 156.9
[M-H]- 223.09489 144.4
[M+NH4]+ 242.13599 160.5
[M+K]+ 263.06533 152.6
[M+H-H2O]+ 207.09943 137.5
[M+HCOO]- 269.10037 167.6
[M+CH3COO]- 283.11602 190.1
[M+Na-2H]- 245.07684 152.7
[M]+ 224.10162 146.7
[M]- 224.10272 146.7
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

patents stripe