PubChemLite - 604-68-2 (C16H22O11)

Structural Information

Molecular Formula

SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1

InChIKey

LPTITAGPBXDDGR-LJIZCISZSA-N

Compound name

[(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate

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]+	391.12348	180.2
[M+Na]+	413.10542	185.0
[M+NH4]+	408.15002	204.7
[M+K]+	429.07936	187.1
[M-H]-	389.10892	176.2
[M+Na-2H]-	411.09087	176.5
[M]+	390.11565	178.8
[M]-	390.11675	178.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

391.12348

180.2

[M+Na]+

413.10542

185.0

[M+NH4]+

408.15002

204.7

[M+K]+

429.07936

187.1

[M-H]-

389.10892

176.2

[M+Na-2H]-

411.09087

176.5

[M]+

390.11565

178.8

[M]-

390.11675

178.8

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

604-68-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe