PubChemLite - Disodium n-dodecyl 6-o-carboxyphosphonyl-.alpha.-d-glucopyranoside (C19H37O10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(C(=O)O)O)O)O)O

InChI

InChI=1S/C19H37O10P/c1-2-3-4-5-6-7-8-9-10-11-12-27-18-17(22)16(21)15(20)14(29-18)13-28-30(25,26)19(23)24/h14-18,20-22H,2-13H2,1H3,(H,23,24)(H,25,26)/t14-,15-,16+,17-,18+/m1/s1

InChIKey

SJISJRTWCMJGKC-SFFUCWETSA-N

Compound name

[[(2R,3S,4S,5R,6S)-6-dodecoxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]formic acid

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]+	457.21971	208.8
[M+Na]+	479.20165	208.7
[M-H]-	455.20515	200.7
[M+NH4]+	474.24625	201.7
[M+K]+	495.17559	208.3
[M+H-H2O]+	439.20969	199.6
[M+HCOO]-	501.21063	222.2
[M+CH3COO]-	515.22628	224.5
[M+Na-2H]-	477.18710	203.5
[M]+	456.21188	199.9
[M]-	456.21298	199.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.21971

208.8

[M+Na]+

479.20165

208.7

[M-H]-

455.20515

200.7

[M+NH4]+

474.24625

201.7

[M+K]+

495.17559

208.3

[M+H-H2O]+

439.20969

199.6

[M+HCOO]-

501.21063

222.2

[M+CH3COO]-

515.22628

224.5

[M+Na-2H]-

477.18710

203.5

[M]+

456.21188

199.9

[M]-

456.21298

199.9

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

Disodium n-dodecyl 6-o-carboxyphosphonyl-.alpha.-d-glucopyranoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe