PubChemLite - Cyclic amp (C10H12N5O6P)

Structural Information

Molecular Formula

SMILES

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O

InChI

InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChIKey

IVOMOUWHDPKRLL-KQYNXXCUSA-N

Compound name

(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.05980	169.7
[M+Na]+	352.04174	179.4
[M+NH4]+	347.08634	174.8
[M+K]+	368.01568	180.9
[M-H]-	328.04524	172.4
[M+Na-2H]-	350.02719	169.8
[M]+	329.05197	171.4
[M]-	329.05307	171.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

330.05980

169.7

[M+Na]+

352.04174

179.4

[M+NH4]+

347.08634

174.8

[M+K]+

368.01568

180.9

[M-H]-

328.04524

172.4

[M+Na-2H]-

350.02719

169.8

[M]+

329.05197

171.4

[M]-

329.05307

171.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cyclic amp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe