PubChemLite - C-oxanosine-5'-monophosphate (C11H15N4O8P)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2N=C(OC3=O)N)O)O)COP(=O)(O)O

InChI

InChI=1S/C11H15N4O8P/c12-11-14-9-6(10(18)23-11)13-3-15(9)5-1-4(7(16)8(5)17)2-22-24(19,20)21/h3-5,7-8,16-17H,1-2H2,(H2,12,14)(H2,19,20,21)/t4-,5-,7-,8+/m1/s1

InChIKey

XXWOBUIYTIERPH-APOSLCTFSA-N

Compound name

[(1R,2R,3S,4R)-4-(5-amino-7-oxoimidazo[4,5-d][1,3]oxazin-3-yl)-2,3-dihydroxycyclopentyl]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]+	363.07002	174.5
[M+Na]+	385.05196	182.2
[M-H]-	361.05546	174.2
[M+NH4]+	380.09656	183.4
[M+K]+	401.02590	181.7
[M+H-H2O]+	345.06000	165.8
[M+HCOO]-	407.06094	193.7
[M+CH3COO]-	421.07659	207.2
[M+Na-2H]-	383.03741	174.0
[M]+	362.06219	176.6
[M]-	362.06329	176.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

363.07002

174.5

[M+Na]+

385.05196

182.2

[M-H]-

361.05546

174.2

[M+NH4]+

380.09656

183.4

[M+K]+

401.02590

181.7

[M+H-H2O]+

345.06000

165.8

[M+HCOO]-

407.06094

193.7

[M+CH3COO]-

421.07659

207.2

[M+Na-2H]-

383.03741

174.0

[M]+

362.06219

176.6

[M]-

362.06329

176.6

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

C-oxanosine-5'-monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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