PubChemLite - 52630-68-9 (C14H25NO10)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O)O)O)O

InChI

InChI=1S/C14H25NO10/c1-5-9(20)11(22)12(23)14(24-5)25-13(10(21)8(19)4-17)7(3-16)15-6(2)18/h3,5,7-14,17,19-23H,4H2,1-2H3,(H,15,18)/t5-,7-,8+,9+,10+,11+,12-,13+,14-/m0/s1

InChIKey

YDWJUIXDZSJZHH-MYCHVAHWSA-N

Compound name

N-[(2R,3R,4R,5R)-4,5,6-trihydroxy-1-oxo-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide

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]+	368.15514	180.3
[M+Na]+	390.13708	180.6
[M-H]-	366.14058	175.4
[M+NH4]+	385.18168	186.2
[M+K]+	406.11102	182.5
[M+H-H2O]+	350.14512	173.9
[M+HCOO]-	412.14606	187.1
[M+CH3COO]-	426.16171	210.4
[M+Na-2H]-	388.12253	173.8
[M]+	367.14731	178.0
[M]-	367.14841	178.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

368.15514

180.3

[M+Na]+

390.13708

180.6

[M-H]-

366.14058

175.4

[M+NH4]+

385.18168

186.2

[M+K]+

406.11102

182.5

[M+H-H2O]+

350.14512

173.9

[M+HCOO]-

412.14606

187.1

[M+CH3COO]-

426.16171

210.4

[M+Na-2H]-

388.12253

173.8

[M]+

367.14731

178.0

[M]-

367.14841

178.0

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

52630-68-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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