PubChemLite - 58569-76-9 (C15H26N2O10)

Structural Information

Molecular Formula

SMILES

CCCC(C)(COC(=O)N)COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O

InChI

InChI=1S/C15H26N2O10/c1-3-4-15(2,5-25-13(16)23)6-26-14(24)17-11-9(20)7(18)8(19)10(27-11)12(21)22/h7-11,18-20H,3-6H2,1-2H3,(H2,16,23)(H,17,24)(H,21,22)/t7-,8-,9+,10-,11+,15?/m0/s1

InChIKey

JJNJNGDGGZSOLF-DQYDNALCSA-N

Compound name

(2S,3S,4S,5R,6R)-6-[[2-(carbamoyloxymethyl)-2-methylpentoxy]carbonylamino]-3,4,5-trihydroxyoxane-2-carboxylic 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]+	395.16603	185.2
[M+Na]+	417.14797	186.2
[M-H]-	393.15147	182.5
[M+NH4]+	412.19257	191.1
[M+K]+	433.12191	188.1
[M+H-H2O]+	377.15601	178.4
[M+HCOO]-	439.15695	195.7
[M+CH3COO]-	453.17260	218.8
[M+Na-2H]-	415.13342	182.7
[M]+	394.15820	185.0
[M]-	394.15930	185.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.16603

185.2

[M+Na]+

417.14797

186.2

[M-H]-

393.15147

182.5

[M+NH4]+

412.19257

191.1

[M+K]+

433.12191

188.1

[M+H-H2O]+

377.15601

178.4

[M+HCOO]-

439.15695

195.7

[M+CH3COO]-

453.17260

218.8

[M+Na-2H]-

415.13342

182.7

[M]+

394.15820

185.0

[M]-

394.15930

185.0

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

58569-76-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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