CID 41211

3'-adenylic acid

Structural Information

Molecular Formula
C10H14N5O7P
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
LNQVTSROQXJCDD-KQYNXXCUSA-N
Compound name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11801
References

3672
Patents

347.06308 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.07036 172.9
[M+Na]+ 370.05230 179.3
[M+NH4]+ 365.09690 174.1
[M+K]+ 386.02624 185.0
[M-H]- 346.05580 170.2
[M+Na-2H]- 368.03775 171.7
[M]+ 347.06253 172.2
[M]- 347.06363 172.2
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