CID 135484986

53498-52-5

Structural Information

Molecular Formula
C7H9N5O2
SMILES
C1=NC2=C(N1CCO)C(=O)NC(=N2)N
InChI
InChI=1S/C7H9N5O2/c8-7-10-5-4(6(14)11-7)12(1-2-13)3-9-5/h3,13H,1-2H2,(H3,8,10,11,14)
InChIKey
OCAWYYAMQRJCOY-UHFFFAOYSA-N
Compound name
2-amino-7-(2-hydroxyethyl)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

57
References

317
Patents

195.07562 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08290 139.5
[M+Na]+ 218.06484 151.4
[M-H]- 194.06834 137.2
[M+NH4]+ 213.10944 155.1
[M+K]+ 234.03878 146.7
[M+H-H2O]+ 178.07288 131.8
[M+HCOO]- 240.07382 159.4
[M+CH3COO]- 254.08947 151.8
[M+Na-2H]- 216.05029 146.4
[M]+ 195.07507 139.7
[M]- 195.07617 139.7
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