PubChemLite - 1355683-57-6 (C23H42O11)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O

InChI

InChI=1S/C23H42O11/c1-13(31-22-16(26)11-15(25)14(2)32-22)9-7-5-3-4-6-8-10-18(27)34-23-21(30)20(29)19(28)17(12-24)33-23/h13-17,19-26,28-30H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,19-,20+,21-,22-,23+/m1/s1

InChIKey

QBDRWZBYGHVNSP-BZNPLBMASA-N

Compound name

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyundecanoate

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]+	495.27998	218.4
[M+Na]+	517.26192	216.7
[M-H]-	493.26542	216.1
[M+NH4]+	512.30652	218.6
[M+K]+	533.23586	217.8
[M+H-H2O]+	477.26996	210.5
[M+HCOO]-	539.27090	220.1
[M+CH3COO]-	553.28655	233.3
[M+Na-2H]-	515.24737	210.0
[M]+	494.27215	219.6
[M]-	494.27325	219.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.27998

218.4

[M+Na]+

517.26192

216.7

[M-H]-

493.26542

216.1

[M+NH4]+

512.30652

218.6

[M+K]+

533.23586

217.8

[M+H-H2O]+

477.26996

210.5

[M+HCOO]-

539.27090

220.1

[M+CH3COO]-

553.28655

233.3

[M+Na-2H]-

515.24737

210.0

[M]+

494.27215

219.6

[M]-

494.27325

219.6

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

1355683-57-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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