PubChemLite - Nsc 357584 (C19H33NO8)

Structural Information

Molecular Formula

SMILES

CC1(OC2C(O1)C(OC2(C)C(CO)O)(C)N3[C@H](CCO3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H33NO8/c1-16(2,3)27-15(23)11-8-9-24-20(11)19(7)14-13(25-17(4,5)26-14)18(6,28-19)12(22)10-21/h11-14,21-22H,8-10H2,1-7H3/t11-,12?,13?,14?,18?,19?/m1/s1

InChIKey

RQRWGOQBKDKCRM-UBZQJWHCSA-N

Compound name

tert-butyl (3R)-2-[6-(1,2-dihydroxyethyl)-2,2,4,6-tetramethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidine-3-carboxylate

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]+	404.22788	186.0
[M+Na]+	426.20982	191.3
[M-H]-	402.21332	191.8
[M+NH4]+	421.25442	201.1
[M+K]+	442.18376	195.2
[M+H-H2O]+	386.21786	187.7
[M+HCOO]-	448.21880	193.4
[M+CH3COO]-	462.23445	217.4
[M+Na-2H]-	424.19527	188.0
[M]+	403.22005	192.4
[M]-	403.22115	192.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

404.22788

186.0

[M+Na]+

426.20982

191.3

[M-H]-

402.21332

191.8

[M+NH4]+

421.25442

201.1

[M+K]+

442.18376

195.2

[M+H-H2O]+

386.21786

187.7

[M+HCOO]-

448.21880

193.4

[M+CH3COO]-

462.23445

217.4

[M+Na-2H]-

424.19527

188.0

[M]+

403.22005

192.4

[M]-

403.22115

192.4

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

Nsc 357584

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe