[3,4,5-triacetyloxy-6-[4-acetyloxy-2-(1-acetyloxy-2-oxoethyl)oxolan-3-yl]oxyoxan-2-yl]methyl acetate (C24H32O16)

Structural Information

Molecular Formula

SMILES

CC(=O)OCC1C(C(C(C(O1)OC2C(COC2C(C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C24H32O16/c1-10(26)32-8-18-21(36-13(4)29)22(37-14(5)30)23(38-15(6)31)24(39-18)40-20-17(35-12(3)28)9-33-19(20)16(7-25)34-11(2)27/h7,16-24H,8-9H2,1-6H3

InChIKey

LPMBCWOWCKJZAF-UHFFFAOYSA-N

Compound name

[3,4,5-triacetyloxy-6-[4-acetyloxy-2-(1-acetyloxy-2-oxoethyl)oxolan-3-yl]oxyoxan-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]+	577.176276	235.4
[M+Na]+	599.158218	249.2
[M-H]-	575.161724	250.2
[M+NH4]+	594.202823	259.3
[M+K]+	615.132158	241.1
[M+H-H2O]+	559.166260	248.2
[M+HCOO]-	621.167201	256.7
[M+CH3COO]-	635.182851	254.9
[M+Na-2H]-	597.143666	227.9
[M]+	576.16845142	242.0
[M]-	576.16954858	242.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.176276

235.4

[M+Na]+

599.158218

249.2

[M-H]-

575.161724

250.2

[M+NH4]+

594.202823

259.3

[M+K]+

615.132158

241.1

[M+H-H2O]+

559.166260

248.2

[M+HCOO]-

621.167201

256.7

[M+CH3COO]-

635.182851

254.9

[M+Na-2H]-

597.143666

227.9

[M]+

576.16845142

242.0

[M]-

576.16954858

242.0

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

[3,4,5-triacetyloxy-6-[4-acetyloxy-2-(1-acetyloxy-2-oxoethyl)oxolan-3-yl]oxyoxan-2-yl]methyl acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe