PubChemLite - Dadp (C10H15N5O9P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

InChIKey

DAEAPNUQQAICNR-RRKCRQDMSA-N

Compound name

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen 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]+	412.04180	182.8
[M+Na]+	434.02374	186.8
[M-H]-	410.02724	179.6
[M+NH4]+	429.06834	187.7
[M+K]+	449.99768	188.9
[M+H-H2O]+	394.03178	171.1
[M+HCOO]-	456.03272	203.9
[M+CH3COO]-	470.04837	214.5
[M+Na-2H]-	432.00919	183.7
[M]+	411.03397	184.4
[M]-	411.03507	184.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

412.04180

182.8

[M+Na]+

434.02374

186.8

[M-H]-

410.02724

179.6

[M+NH4]+

429.06834

187.7

[M+K]+

449.99768

188.9

[M+H-H2O]+

394.03178

171.1

[M+HCOO]-

456.03272

203.9

[M+CH3COO]-

470.04837

214.5

[M+Na-2H]-

432.00919

183.7

[M]+

411.03397

184.4

[M]-

411.03507

184.4

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

Dadp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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