PubChemLite - (+)-carbocyclic amp (C11H16N5O6P)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)COP(=O)(O)O

InChI

InChI=1S/C11H16N5O6P/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(8(17)9(6)18)2-22-23(19,20)21/h3-6,8-9,17-18H,1-2H2,(H2,12,13,14)(H2,19,20,21)/t5-,6-,8-,9+/m1/s1

InChIKey

ZLHJFTIXCUYZSQ-GCXDCGAKSA-N

Compound name

[(1R,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl dihydrogen phosphate

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]+	346.09111	173.4
[M+Na]+	368.07305	180.4
[M-H]-	344.07655	171.0
[M+NH4]+	363.11765	182.9
[M+K]+	384.04699	178.2
[M+H-H2O]+	328.08109	163.8
[M+HCOO]-	390.08203	191.8
[M+CH3COO]-	404.09768	204.0
[M+Na-2H]-	366.05850	172.3
[M]+	345.08328	172.9
[M]-	345.08438	172.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

346.09111

173.4

[M+Na]+

368.07305

180.4

[M-H]-

344.07655

171.0

[M+NH4]+

363.11765

182.9

[M+K]+

384.04699

178.2

[M+H-H2O]+

328.08109

163.8

[M+HCOO]-

390.08203

191.8

[M+CH3COO]-

404.09768

204.0

[M+Na-2H]-

366.05850

172.3

[M]+

345.08328

172.9

[M]-

345.08438

172.9

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

(+)-carbocyclic amp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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