PubChemLite - Acuminose (C11H20O10)

Structural Information

Molecular Formula

SMILES

C1[C@@]([C@H]([C@@H](O1)OC[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)(CO)O

InChI

InChI=1S/C11H20O10/c12-2-11(18)3-20-10(8(11)16)19-1-4-5(13)6(14)7(15)9(17)21-4/h4-10,12-18H,1-3H2/t4-,5+,6-,7+,8-,9+,10+,11+/m0/s1

InChIKey

MRAAUGYJHQVNBA-GYIKDEIJSA-N

Compound name

(2R,3R,4S,5S,6S)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

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]+	313.11293	164.1
[M+Na]+	335.09487	168.6
[M-H]-	311.09837	162.8
[M+NH4]+	330.13947	175.0
[M+K]+	351.06881	168.9
[M+H-H2O]+	295.10291	160.3
[M+HCOO]-	357.10385	171.9
[M+CH3COO]-	371.11950	190.2
[M+Na-2H]-	333.08032	164.3
[M]+	312.10510	162.1
[M]-	312.10620	162.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

313.11293

164.1

[M+Na]+

335.09487

168.6

[M-H]-

311.09837

162.8

[M+NH4]+

330.13947

175.0

[M+K]+

351.06881

168.9

[M+H-H2O]+

295.10291

160.3

[M+HCOO]-

357.10385

171.9

[M+CH3COO]-

371.11950

190.2

[M+Na-2H]-

333.08032

164.3

[M]+

312.10510

162.1

[M]-

312.10620

162.1

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

Acuminose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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