PubChemLite - 3-o-benzyl 4-c-(methanesulfonyloxymethyl)-5-o-methanesulfonyl-1,2-o-isopropylidene-a-d-ribofuranose (C18H26O10S2)

Structural Information

Molecular Formula

SMILES

CC1(O[C@@H]2[C@@H](C(O[C@@H]2O1)(COS(=O)(=O)C)COS(=O)(=O)C)OCC3=CC=CC=C3)C

InChI

InChI=1S/C18H26O10S2/c1-17(2)26-14-15(23-10-13-8-6-5-7-9-13)18(28-16(14)27-17,11-24-29(3,19)20)12-25-30(4,21)22/h5-9,14-16H,10-12H2,1-4H3/t14-,15+,16+/m1/s1

InChIKey

REPCZRIZHPZZRA-PMPSAXMXSA-N

Compound name

[(3aR,6S,6aR)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl methanesulfonate

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]+	467.10402	197.1
[M+Na]+	489.08596	204.1
[M-H]-	465.08946	205.6
[M+NH4]+	484.13056	210.3
[M+K]+	505.05990	207.1
[M+H-H2O]+	449.09400	196.9
[M+HCOO]-	511.09494	204.9
[M+CH3COO]-	525.11059	223.4
[M+Na-2H]-	487.07141	205.9
[M]+	466.09619	211.6
[M]-	466.09729	211.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.10402

197.1

[M+Na]+

489.08596

204.1

[M-H]-

465.08946

205.6

[M+NH4]+

484.13056

210.3

[M+K]+

505.05990

207.1

[M+H-H2O]+

449.09400

196.9

[M+HCOO]-

511.09494

204.9

[M+CH3COO]-

525.11059

223.4

[M+Na-2H]-

487.07141

205.9

[M]+

466.09619

211.6

[M]-

466.09729

211.6

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

3-o-benzyl 4-c-(methanesulfonyloxymethyl)-5-o-methanesulfonyl-1,2-o-isopropylidene-a-d-ribofuranose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe