PubChemLite - Adenosine 2',3'-cyclic phosphate (C10H12N5O6P)

Structural Information

Molecular Formula

SMILES

C1=NC(=C2C(=N1)N(C=N2)C3C4C(C(O3)CO)OP(=O)(O4)O)N

InChI

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

InChIKey

KMYWVDDIPVNLME-UHFFFAOYSA-N

Compound name

[4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol

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	167.4
[M+Na]+	352.04174	176.1
[M+NH4]+	347.08634	172.4
[M+K]+	368.01568	180.1
[M-H]-	328.04524	169.5
[M+Na-2H]-	350.02719	167.0
[M]+	329.05197	168.8
[M]-	329.05307	168.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

330.05980

167.4

[M+Na]+

352.04174

176.1

[M+NH4]+

347.08634

172.4

[M+K]+

368.01568

180.1

[M-H]-

328.04524

169.5

[M+Na-2H]-

350.02719

167.0

[M]+

329.05197

168.8

[M]-

329.05307

168.8

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

Adenosine 2',3'-cyclic phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe