CID 96851

8-aminoadenosine

Structural Information

Molecular Formula
C10H14N6O4
SMILES
C1=NC(=C2C(=N1)N(C(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1
InChIKey
DVGWFQILDUEEGX-UUOKFMHZSA-N
Compound name
(2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

164
Patents

282.10767 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.114946 161.3
[M+Na]+ 305.096888 171.5
[M-H]- 281.100394 162.2
[M+NH4]+ 300.141493 172.7
[M+K]+ 321.070828 168.1
[M+H-H2O]+ 265.104930 153.7
[M+HCOO]- 327.105871 177.7
[M+CH3COO]- 341.121521 171.7
[M+Na-2H]- 303.082336 162.2
[M]+ 282.10712142 160.3
[M]- 282.10821858 160.3
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