Alpha-d-glucofuranose, 1,2:5,6-bis-o-(1-methylethylidene)-3-o-hexadecyl- (C28H52O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C

InChI

InChI=1S/C28H52O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-24-23(22-21-30-27(2,3)32-22)31-26-25(24)33-28(4,5)34-26/h22-26H,6-21H2,1-5H3/t22-,23-,24+,25?,26?/m1/s1

InChIKey

DIIKASYRIYNEQV-SXKBUZGKSA-N

Compound name

(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

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]+	485.383676	223.6
[M+Na]+	507.365618	225.5
[M-H]-	483.369124	231.3
[M+NH4]+	502.410223	234.9
[M+K]+	523.339558	226.7
[M+H-H2O]+	467.373660	222.3
[M+HCOO]-	529.374601	233.9
[M+CH3COO]-	543.390251	239.7
[M+Na-2H]-	505.351066	220.0
[M]+	484.37585142	234.9
[M]-	484.37694858	234.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.383676

223.6

[M+Na]+

507.365618

225.5

[M-H]-

483.369124

231.3

[M+NH4]+

502.410223

234.9

[M+K]+

523.339558

226.7

[M+H-H2O]+

467.373660

222.3

[M+HCOO]-

529.374601

233.9

[M+CH3COO]-

543.390251

239.7

[M+Na-2H]-

505.351066

220.0

[M]+

484.37585142

234.9

[M]-

484.37694858

234.9

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

Alpha-d-glucofuranose, 1,2:5,6-bis-o-(1-methylethylidene)-3-o-hexadecyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe