PubChemLite - D-altritol, 1,6-di-o-phenyl-2,5-bis-o-(phenylmethyl)- (C32H34O6)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)CO[C@H](COC2=CC=CC=C2)[C@H]([C@H]([C@@H](COC3=CC=CC=C3)OCC4=CC=CC=C4)O)O

InChI

InChI=1S/C32H34O6/c33-31(29(23-35-27-17-9-3-10-18-27)37-21-25-13-5-1-6-14-25)32(34)30(24-36-28-19-11-4-12-20-28)38-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29-,30-,31-,32+/m1/s1

InChIKey

JOUWJRQPBJVSNU-ANLCFORVSA-N

Compound name

(2R,3S,4R,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol

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]+	515.24281	225.3
[M+Na]+	537.22475	222.6
[M-H]-	513.22825	232.2
[M+NH4]+	532.26935	226.9
[M+K]+	553.19869	219.1
[M+H-H2O]+	497.23279	212.5
[M+HCOO]-	559.23373	239.4
[M+CH3COO]-	573.24938	237.6
[M+Na-2H]-	535.21020	223.4
[M]+	514.23498	226.4
[M]-	514.23608	226.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.24281

225.3

[M+Na]+

537.22475

222.6

[M-H]-

513.22825

232.2

[M+NH4]+

532.26935

226.9

[M+K]+

553.19869

219.1

[M+H-H2O]+

497.23279

212.5

[M+HCOO]-

559.23373

239.4

[M+CH3COO]-

573.24938

237.6

[M+Na-2H]-

535.21020

223.4

[M]+

514.23498

226.4

[M]-

514.23608

226.4

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

D-altritol, 1,6-di-o-phenyl-2,5-bis-o-(phenylmethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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