PubChemLite - Cytidine 5'-diphosphate (C9H15N3O11P2)

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)O)O)O

InChI

InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey

ZWIADYZPOWUWEW-XVFCMESISA-N

Compound name

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-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]+	404.02548	178.7
[M+Na]+	426.00742	182.3
[M-H]-	402.01092	175.0
[M+NH4]+	421.05202	183.3
[M+K]+	441.98136	184.6
[M+H-H2O]+	386.01546	167.1
[M+HCOO]-	448.01640	200.2
[M+CH3COO]-	462.03205	212.2
[M+Na-2H]-	423.99287	179.1
[M]+	403.01765	179.5
[M]-	403.01875	179.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

404.02548

178.7

[M+Na]+

426.00742

182.3

[M-H]-

402.01092

175.0

[M+NH4]+

421.05202

183.3

[M+K]+

441.98136

184.6

[M+H-H2O]+

386.01546

167.1

[M+HCOO]-

448.01640

200.2

[M+CH3COO]-

462.03205

212.2

[M+Na-2H]-

423.99287

179.1

[M]+

403.01765

179.5

[M]-

403.01875

179.5

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

Cytidine 5'-diphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe