PubChemLite - Dcdp (C9H15N3O10P2)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChIKey

FTDHDKPUHBLBTL-SHYZEUOFSA-N

Compound name

[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-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]+	388.03053	176.2
[M+Na]+	410.01247	180.1
[M-H]-	386.01597	173.5
[M+NH4]+	405.05707	182.1
[M+K]+	425.98641	182.0
[M+H-H2O]+	370.02051	164.5
[M+HCOO]-	432.02145	199.3
[M+CH3COO]-	446.03710	209.8
[M+Na-2H]-	407.99792	177.1
[M]+	387.02270	177.2
[M]-	387.02380	177.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

388.03053

176.2

[M+Na]+

410.01247

180.1

[M-H]-

386.01597

173.5

[M+NH4]+

405.05707

182.1

[M+K]+

425.98641

182.0

[M+H-H2O]+

370.02051

164.5

[M+HCOO]-

432.02145

199.3

[M+CH3COO]-

446.03710

209.8

[M+Na-2H]-

407.99792

177.1

[M]+

387.02270

177.2

[M]-

387.02380

177.2

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

Dcdp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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