CID 196443

Etaden

Structural Information

Molecular Formula
C7H10N6O
SMILES
C1=NC(=C2C(=N1)N=C(N2)NCCO)N
InChI
InChI=1S/C7H10N6O/c8-5-4-6(11-3-10-5)13-7(12-4)9-1-2-14/h3,14H,1-2H2,(H4,8,9,10,11,12,13)
InChIKey
CRWIVQWPUFWSCJ-UHFFFAOYSA-N
Compound name
2-[(6-amino-7H-purin-8-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

49
Patents

194.09161 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09889 138.0
[M+Na]+ 217.08083 148.5
[M+NH4]+ 212.12543 143.6
[M+K]+ 233.05477 146.3
[M-H]- 193.08433 137.2
[M+Na-2H]- 215.06628 142.7
[M]+ 194.09106 138.7
[M]- 194.09216 138.7
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