PubChemLite - (3'-ohch2 ara-5-ch=chcoome)u (C14H18N2O8)

Structural Information

Molecular Formula

SMILES

COC(=O)/C=C/C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)CO)O

InChI

InChI=1S/C14H18N2O8/c1-23-10(19)3-2-7-4-16(14(22)15-12(7)21)13-11(20)8(5-17)9(6-18)24-13/h2-4,8-9,11,13,17-18,20H,5-6H2,1H3,(H,15,21,22)/b3-2+/t8-,9-,11+,13-/m1/s1

InChIKey

UUOYLGCVNIOCRU-HDJLFJBISA-N

Compound name

methyl (E)-3-[1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate

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]+	343.11360	173.6
[M+Na]+	365.09554	181.3
[M-H]-	341.09904	173.9
[M+NH4]+	360.14014	182.2
[M+K]+	381.06948	178.5
[M+H-H2O]+	325.10358	166.4
[M+HCOO]-	387.10452	187.3
[M+CH3COO]-	401.12017	201.1
[M+Na-2H]-	363.08099	171.4
[M]+	342.10577	175.1
[M]-	342.10687	175.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

343.11360

173.6

[M+Na]+

365.09554

181.3

[M-H]-

341.09904

173.9

[M+NH4]+

360.14014

182.2

[M+K]+

381.06948

178.5

[M+H-H2O]+

325.10358

166.4

[M+HCOO]-

387.10452

187.3

[M+CH3COO]-

401.12017

201.1

[M+Na-2H]-

363.08099

171.4

[M]+

342.10577

175.1

[M]-

342.10687

175.1

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

(3'-ohch2 ara-5-ch=chcoome)u

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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