Cdp-glycerol (C12H21N3O13P2)

Structural Information

Molecular Formula

SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCC(CO)O)O)O

InChI

InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6?,7-,9-,10-,11-/m1/s1

InChIKey

HHPOUCCVONEPRK-JANFQQFMSA-N

Compound name

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2,3-dihydroxypropyl 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]+	478.06224	195.6
[M+Na]+	500.04418	198.7
[M-H]-	476.04768	191.2
[M+NH4]+	495.08878	195.3
[M+K]+	516.01812	194.9
[M+H-H2O]+	460.05222	181.4
[M+HCOO]-	522.05316	198.1
[M+CH3COO]-	536.06881	225.5
[M+Na-2H]-	498.02963	201.9
[M]+	477.05441	189.9
[M]-	477.05551	189.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.06224

195.6

[M+Na]+

500.04418

198.7

[M-H]-

476.04768

191.2

[M+NH4]+

495.08878

195.3

[M+K]+

516.01812

194.9

[M+H-H2O]+

460.05222

181.4

[M+HCOO]-

522.05316

198.1

[M+CH3COO]-

536.06881

225.5

[M+Na-2H]-

498.02963

201.9

[M]+

477.05441

189.9

[M]-

477.05551

189.9

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

Cdp-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe