PubChemLite - 5-ethylcytidine 5'-monophosphate (C11H18N3O8P)

Structural Information

Molecular Formula

SMILES

CCC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

InChI

InChI=1S/C11H18N3O8P/c1-2-5-3-14(11(17)13-9(5)12)10-8(16)7(15)6(22-10)4-21-23(18,19)20/h3,6-8,10,15-16H,2,4H2,1H3,(H2,12,13,17)(H2,18,19,20)/t6-,7-,8-,10-/m1/s1

InChIKey

SKGFOLAMDDXPCJ-FDDDBJFASA-N

Compound name

[(2R,3S,4R,5R)-5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen 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]+	352.09044	175.9
[M+Na]+	374.07238	182.4
[M-H]-	350.07588	174.9
[M+NH4]+	369.11698	184.0
[M+K]+	390.04632	181.7
[M+H-H2O]+	334.08042	166.6
[M+HCOO]-	396.08136	194.7
[M+CH3COO]-	410.09701	206.5
[M+Na-2H]-	372.05783	174.0
[M]+	351.08261	176.8
[M]-	351.08371	176.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

352.09044

175.9

[M+Na]+

374.07238

182.4

[M-H]-

350.07588

174.9

[M+NH4]+

369.11698

184.0

[M+K]+

390.04632

181.7

[M+H-H2O]+

334.08042

166.6

[M+HCOO]-

396.08136

194.7

[M+CH3COO]-

410.09701

206.5

[M+Na-2H]-

372.05783

174.0

[M]+

351.08261

176.8

[M]-

351.08371

176.8

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

5-ethylcytidine 5'-monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe