151843-05-9 (C14H26O11)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14H26O11/c1-2-22-13-11(20)10(19)8(17)6(25-13)4-23-14-12(21)9(18)7(16)5(3-15)24-14/h5-21H,2-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12-,13-,14-/m1/s1

InChIKey

AWHCMAHYNRUGIC-ZWNWPIOYSA-N

Compound name

(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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]+	371.154796	182.2
[M+Na]+	393.136738	185.1
[M-H]-	369.140244	180.6
[M+NH4]+	388.181343	187.2
[M+K]+	409.110678	186.2
[M+H-H2O]+	353.144780	175.4
[M+HCOO]-	415.145721	187.0
[M+CH3COO]-	429.161371	206.3
[M+Na-2H]-	391.122186	179.1
[M]+	370.14697142	181.1
[M]-	370.14806858	181.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

371.154796

182.2

[M+Na]+

393.136738

185.1

[M-H]-

369.140244

180.6

[M+NH4]+

388.181343

187.2

[M+K]+

409.110678

186.2

[M+H-H2O]+

353.144780

175.4

[M+HCOO]-

415.145721

187.0

[M+CH3COO]-

429.161371

206.3

[M+Na-2H]-

391.122186

179.1

[M]+

370.14697142

181.1

[M]-

370.14806858

181.1

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

151843-05-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe