PubChemLite - Hydroxymethyl-dcdp (C10H17N3O11P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C10H17N3O11P2/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(23-8)4-22-26(20,21)24-25(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1

InChIKey

RQKDPSTWKKMBPM-XLPZGREQSA-N

Compound name

[(2R,3S,5R)-5-[4-amino-5-(hydroxymethyl)-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]+	418.04112	183.9
[M+Na]+	440.02306	186.0
[M+NH4]+	435.06766	181.6
[M+K]+	455.99700	193.2
[M-H]-	416.02656	178.1
[M+Na-2H]-	438.00851	179.7
[M]+	417.03329	181.2
[M]-	417.03439	181.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

418.04112

183.9

[M+Na]+

440.02306

186.0

[M+NH4]+

435.06766

181.6

[M+K]+

455.99700

193.2

[M-H]-

416.02656

178.1

[M+Na-2H]-

438.00851

179.7

[M]+

417.03329

181.2

[M]-

417.03439

181.2

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

Hydroxymethyl-dcdp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe